1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine

C87H186N10O3 — CID 162110738

About 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine (PubChem CID 162110738) has the molecular formula C87H186N10O3 and a molecular weight of 1420.51 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine
• PubChem CID: 162110738
• Molecular Formula: C87H186N10O3
• Molecular Weight: 1420.51 g/mol
• Exact Mass: 1419.47
• IUPAC Name: 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine
• SMILES: CC(C)(C)CCCCN1CCCC1.CC(C)(C)CCCN1CCCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CN(C)CCC(C)(C)C.CN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C12H25N.C11H23NO.C11H23N.C10H21NO.C10H21N.C9H20N2.C8H17NO.C8H17N.C8H19N/c1-12(2,3)8-4-5-9-13-10-6-7-11-13;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)6-7-9(4)5/h4-11H2,1-3H3;4-10H2,1-3H3;4-10H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;6-7H2,1-5H3
• InChIKey: ZGCQUEJKGOMVEW-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 60.09 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.51
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine?

The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine (CID 162110738) is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine.

What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine?

The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine is CC(C)(C)CCCCN1CCCC1.CC(C)(C)CCCN1CCCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CN(C)CCC(C)(C)C.CN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine?

The InChIKey is ZGCQUEJKGOMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C11H23NO.C11H23N.C10H21NO.C10H21N.C9H20N2.C8H17NO.C8H17N.C8H19N/c1-12(2,3)8-4-5-9-13-10-6-7-11-13;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)6-7-9(4)5/h4-11H2,1-3H3;4-10H2,1-3H3;4-10H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;6-7H2,1-5H3.

What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine?

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 1420.51 g/mol, XLogP of 18.64, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;1-(5,5-dimethylhexyl)pyrrolidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)pyrrolidine;N,N,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 162110738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).