[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine

C18H36N2 — CID 65084993

IUPAC[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
SMILESCCCC1CCCN(C2(CN)CCCC(C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-3-6-17-8-5-13-20(14-10-17)18(15-19)11-4-7-16(2)9-12-18/h16-17H,3-15,19H2,1-2H3
InChIKeyUNWVDGBQPMAKMH-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.19
Rot. Bonds4

About [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine

[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine (PubChem CID 65084993) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
PubChem CID65084993
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
SMILESCCCC1CCCN(C2(CN)CCCC(C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-3-6-17-8-5-13-20(14-10-17)18(15-19)11-4-7-16(2)9-12-18/h16-17H,3-15,19H2,1-2H3
InChIKeyUNWVDGBQPMAKMH-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
CID 104958066
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
[3,3-dimethyl-1-(4-propylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705055

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine?
The IUPAC name of [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine (CID 65084993) is [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine is CCCC1CCCN(C2(CN)CCCC(C)CC2)CC1.
What is the InChIKey of [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine?
The InChIKey is UNWVDGBQPMAKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-6-17-8-5-13-20(14-10-17)18(15-19)11-4-7-16(2)9-12-18/h16-17H,3-15,19H2,1-2H3.
What are the key properties of [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine?
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 65084993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).