[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine

C16H33N3 — CID 103494627

IUPAC[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CCCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)15-5-10-19(11-6-15)16(13-17)7-4-9-18(3)12-8-16/h14-15H,4-13,17H2,1-3H3
InChIKeySSYVJATZJMEBLH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds3

About [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine

[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine (PubChem CID 103494627) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
PubChem CID103494627
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CCCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)15-5-10-19(11-6-15)16(13-17)7-4-9-18(3)12-8-16/h14-15H,4-13,17H2,1-3H3
InChIKeySSYVJATZJMEBLH-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
CID 114537563
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-methylazepan-4-yl]methanamine
CID 65074994
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine
CID 65074829
[1-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]azepan-4-yl]methanamine
CID 65075298

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine (CID 103494627) is [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine is CC(C)C1CCN(C2(CN)CCCN(C)CC2)CC1.
What is the InChIKey of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine?
The InChIKey is SSYVJATZJMEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)15-5-10-19(11-6-15)16(13-17)7-4-9-18(3)12-8-16/h14-15H,4-13,17H2,1-3H3.
What are the key properties of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine?
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 103494627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).