N-(3-methylcyclohexyl)-1-propylazepan-4-amine

C16H32N2 — CID 65074489

IUPACN-(3-methylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCCC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-3-10-18-11-5-8-15(9-12-18)17-16-7-4-6-14(2)13-16/h14-17H,3-13H2,1-2H3
InChIKeyJJNADJOYNJIANJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About N-(3-methylcyclohexyl)-1-propylazepan-4-amine

N-(3-methylcyclohexyl)-1-propylazepan-4-amine (PubChem CID 65074489) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-1-propylazepan-4-amine
PubChem CID65074489
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(3-methylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCCC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-3-10-18-11-5-8-15(9-12-18)17-16-7-4-6-14(2)13-16/h14-17H,3-13H2,1-2H3
InChIKeyJJNADJOYNJIANJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
[3-[(1-propylpiperidin-4-yl)amino]cyclohexyl]methanol
CID 112753304
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 62573742
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3-methylcyclohexyl)-1-propylazepan-4-amine (CID 65074489) is N-(3-methylcyclohexyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-1-propylazepan-4-amine is CCCN1CCCC(NC2CCCC(C)C2)CC1.
What is the InChIKey of N-(3-methylcyclohexyl)-1-propylazepan-4-amine?
The InChIKey is JJNADJOYNJIANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-10-18-11-5-8-15(9-12-18)17-16-7-4-6-14(2)13-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-(3-methylcyclohexyl)-1-propylazepan-4-amine?
N-(3-methylcyclohexyl)-1-propylazepan-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65074489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).