tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine

C68H141N13O8 — CID 158237625

About tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine

tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 158237625) has the molecular formula C68H141N13O8 and a molecular weight of 1268.96 g/mol. Its IUPAC name is tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine
• PubChem CID: 158237625
• Molecular Formula: C68H141N13O8
• Molecular Weight: 1268.96 g/mol
• Exact Mass: 1268.10
• IUPAC Name: tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine
• SMILES: CC(C)(C)OC(=O)NC1CC(N)C1.CC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N)C1.CN(C(=O)OC(C)(C)C)C1CC(N)C1.CN(C)C1CCC(N)CC1.C[C@@H]1CC[C@H](N)C1.C[C@H]1CCC[C@@H](N)C1.C[C@H]1CC[C@@H](N)C1
• InChI: InChI=1S/2C11H22N2O2.C10H20N2O2.C9H18N2O2.C8H18N2.C7H15N.2C6H13N/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-10(2,3)14-9(13)12(4)8-5-7(11)6-8;1-9(2,3)13-8(12)11-7-4-6(10)5-7;1-10(2)8-5-3-7(9)4-6-8;1-6-3-2-4-7(8)5-6;2*1-5-2-3-6(7)4-5/h2*8-9H,4-7,12H2,1-3H3,(H,13,14);7-8H,5-6,11H2,1-4H3;6-7H,4-5,10H2,1-3H3,(H,11,12);7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3;2*5-6H,2-4,7H2,1H3/t;8-,9+;;;;6-,7+;2*5-,6+/m.0...010/s1
• InChIKey: GFDUGFPFPNLYJJ-CDIQJLCJSA-N
• XLogP: 10.51
• TPSA: 355.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1268.96
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

The IUPAC name of tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 158237625) is tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine.

What is the SMILES notation for tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

The canonical SMILES for tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine is CC(C)(C)OC(=O)NC1CC(N)C1.CC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N)C1.CN(C(=O)OC(C)(C)C)C1CC(N)C1.CN(C)C1CCC(N)CC1.C[C@@H]1CC[C@H](N)C1.C[C@H]1CCC[C@@H](N)C1.C[C@H]1CC[C@@H](N)C1.

What is the InChIKey of tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

The InChIKey is GFDUGFPFPNLYJJ-CDIQJLCJSA-N. The full InChI is InChI=1S/2C11H22N2O2.C10H20N2O2.C9H18N2O2.C8H18N2.C7H15N.2C6H13N/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-10(2,3)14-9(13)12(4)8-5-7(11)6-8;1-9(2,3)13-8(12)11-7-4-6(10)5-7;1-10(2)8-5-3-7(9)4-6-8;1-6-3-2-4-7(8)5-6;2*1-5-2-3-6(7)4-5/h2*8-9H,4-7,12H2,1-3H3,(H,13,14);7-8H,5-6,11H2,1-4H3;6-7H,4-5,10H2,1-3H3,(H,11,12);7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3;2*5-6H,2-4,7H2,1H3/t;8-,9+;;;;6-,7+;2*5-,6+/m.0...010/s1.

What are the key properties of tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 1268.96 g/mol, XLogP of 10.51, 5 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 158237625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).