N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine

C20H39N — CID 65412906

IUPACN-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39N/c1-5-15-21-19(16-9-7-6-8-10-16)17-11-13-18(14-12-17)20(2,3)4/h16-19,21H,5-15H2,1-4H3
InChIKeyJKVGDNSOPATWLL-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.79
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine

N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine (PubChem CID 65412906) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
PubChem CID65412906
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39N/c1-5-15-21-19(16-9-7-6-8-10-16)17-11-13-18(14-12-17)20(2,3)4/h16-19,21H,5-15H2,1-4H3
InChIKeyJKVGDNSOPATWLL-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-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

N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105176328
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79185086
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105081119
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine (CID 65412906) is N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine is CCCNC(C1CCCCC1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine?
The InChIKey is JKVGDNSOPATWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-5-15-21-19(16-9-7-6-8-10-16)17-11-13-18(14-12-17)20(2,3)4/h16-19,21H,5-15H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine?
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine is sourced from PubChem (CID 65412906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).