4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide

C42H80N8 — CID 160701684

IUPAC4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide
SMILESCC(C)(C)C1CCC(N)CC1.[H]/N=C(\N)C1CCC(C(C)(C)C)CC1.[H]/N=C(\N)N1CCC(C(C)(C)C)CC1.[H]/N=C(\N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H22N2.C11H16N2.C10H21N3.C10H21N/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-10(2,3)8-4-6-13(7-5-8)9(11)12;1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3,(H3,12,13);4-7H,1-3H3,(H3,12,13);8H,4-7H2,1-3H3,(H3,11,12);8-9H,4-7,11H2,1-3H3
InChIKeyRQRTXNRTXQHNPX-UHFFFAOYSA-N
MW697.16 g/mol
LogP9.23
Rot. Bonds2

About 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide

4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide (PubChem CID 160701684) has the molecular formula C42H80N8 and a molecular weight of 697.16 g/mol. Its IUPAC name is 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide
PubChem CID160701684
Molecular FormulaC42H80N8
Molecular Weight697.16 g/mol
Exact Mass696.65
IUPAC Name4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide
SMILESCC(C)(C)C1CCC(N)CC1.[H]/N=C(\N)C1CCC(C(C)(C)C)CC1.[H]/N=C(\N)N1CCC(C(C)(C)C)CC1.[H]/N=C(\N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H22N2.C11H16N2.C10H21N3.C10H21N/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-10(2,3)8-4-6-13(7-5-8)9(11)12;1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3,(H3,12,13);4-7H,1-3H3,(H3,12,13);8H,4-7H2,1-3H3,(H3,11,12);8-9H,4-7,11H2,1-3H3
InChIKeyRQRTXNRTXQHNPX-UHFFFAOYSA-N
XLogP9.23
TPSA178.87 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500697.16
LogP ≤ 59.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butylcyclohexane-1-carboximidamide
CID 20592811
4-[1-(4-tert-butylphenyl)-5-(4-carbamimidoylphenyl)pyrrolidin-2-yl]benzenecarboximidamide
CID 67236457
(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
CID 116557437
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537
3-(4-tert-butylphenyl)-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 145413346
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
(2-amino-2-oxoethyl) 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]-2-methylpropanoate
CID 67879918
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-carbamimidoylpiperidine-3-carboxamide
CID 11796459
N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163158
4-[2-(disulfanyl)propan-2-yl]benzenecarboximidamide
CID 166770354
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
CID 107279256

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide?
The IUPAC name of 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide (CID 160701684) is 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide?
The canonical SMILES for 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide is CC(C)(C)C1CCC(N)CC1.[H]/N=C(\N)C1CCC(C(C)(C)C)CC1.[H]/N=C(\N)N1CCC(C(C)(C)C)CC1.[H]/N=C(\N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide?
The InChIKey is RQRTXNRTXQHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C11H16N2.C10H21N3.C10H21N/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-10(2,3)8-4-6-13(7-5-8)9(11)12;1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3,(H3,12,13);4-7H,1-3H3,(H3,12,13);8H,4-7H2,1-3H3,(H3,11,12);8-9H,4-7,11H2,1-3H3.
What are the key properties of 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide?
4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide has a molecular weight of 697.16 g/mol, XLogP of 9.23, 2 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzenecarboximidamide;4-tert-butylcyclohexan-1-amine;4-tert-butylcyclohexane-1-carboximidamide;4-tert-butylpiperidine-1-carboximidamide is sourced from PubChem (CID 160701684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).