[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine

C18H36N2 — CID 65089102

IUPAC[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
SMILESCC(C)C1CCCC(CN)(N2CCCCCC2C)CC1
InChIInChI=1S/C18H36N2/c1-15(2)17-9-7-11-18(14-19,12-10-17)20-13-6-4-5-8-16(20)3/h15-17H,4-14,19H2,1-3H3
InChIKeySMTYACRIPREECA-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.18
Rot. Bonds3

About [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine

[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine (PubChem CID 65089102) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
PubChem CID65089102
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
SMILESCC(C)C1CCCC(CN)(N2CCCCCC2C)CC1
InChIInChI=1S/C18H36N2/c1-15(2)17-9-7-11-18(14-19,12-10-17)20-13-6-4-5-8-16(20)3/h15-17H,4-14,19H2,1-3H3
InChIKeySMTYACRIPREECA-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[1-(2-ethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63470394
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43080296
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62884867
[3,4-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64746034
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 106821667
[1-(3,4-dimethylpiperidin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107449230
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
The IUPAC name of [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine (CID 65089102) is [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine.
What is the SMILES notation for [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
The canonical SMILES for [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine is CC(C)C1CCCC(CN)(N2CCCCCC2C)CC1.
What is the InChIKey of [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
The InChIKey is SMTYACRIPREECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)17-9-7-11-18(14-19,12-10-17)20-13-6-4-5-8-16(20)3/h15-17H,4-14,19H2,1-3H3.
What are the key properties of [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine is sourced from PubChem (CID 65089102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).