1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine

C19H40N2 — CID 63471199

IUPAC1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCCCCN(C(C)C)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-7-8-9-14-21(16(2)3)19(15-20)12-10-17(11-13-19)18(4,5)6/h16-17H,7-15,20H2,1-6H3
InChIKeyORLIJNWVEKFOER-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.82
Rot. Bonds7

About 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 63471199) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID63471199
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCCCCN(C(C)C)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-7-8-9-14-21(16(2)3)19(15-20)12-10-17(11-13-19)18(4,5)6/h16-17H,7-15,20H2,1-6H3
InChIKeyORLIJNWVEKFOER-UHFFFAOYSA-N
XLogP4.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine 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-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine
CID 106821919
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 43269449
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872350
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 63465218
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976
3-(aminomethyl)-2-methyl-N-pentyl-N-propan-2-ylthian-3-amine
CID 79952503
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine (CID 63471199) is 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine is CCCCCN(C(C)C)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is ORLIJNWVEKFOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-8-9-14-21(16(2)3)19(15-20)12-10-17(11-13-19)18(4,5)6/h16-17H,7-15,20H2,1-6H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63471199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).