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

C17H34N2 — CID 55248044

IUPAC[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-14(2)16-6-9-17(13-18,10-7-16)19-11-4-5-15(3)8-12-19/h14-16H,4-13,18H2,1-3H3
InChIKeyKXNNELRKKRAJNX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

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

[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 55248044) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID55248044
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-14(2)16-6-9-17(13-18,10-7-16)19-11-4-5-15(3)8-12-19/h14-16H,4-13,18H2,1-3H3
InChIKeyKXNNELRKKRAJNX-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine with MolForge

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Related Compounds

[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 63622763
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62988984
[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62707704
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine (CID 55248044) is [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine is CC1CCCN(C2(CN)CCC(C(C)C)CC2)CC1.
What is the InChIKey of [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is KXNNELRKKRAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(2)16-6-9-17(13-18,10-7-16)19-11-4-5-15(3)8-12-19/h14-16H,4-13,18H2,1-3H3.
What are the key properties of [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 55248044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).