[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine

C17H35N3 — CID 65091393

IUPAC[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
SMILESCC(C)C1CCCC(CN)(N2CCCN(C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)16-6-4-8-17(14-18,9-7-16)20-11-5-10-19(3)12-13-20/h15-16H,4-14,18H2,1-3H3
InChIKeyKESZWYBXEFFHLT-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds3

About [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine

[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine (PubChem CID 65091393) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
PubChem CID65091393
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
SMILESCC(C)C1CCCC(CN)(N2CCCN(C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)16-6-4-8-17(14-18,9-7-16)20-11-5-10-19(3)12-13-20/h15-16H,4-14,18H2,1-3H3
InChIKeyKESZWYBXEFFHLT-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107448927
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
CID 43608698
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65089102
[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62988984
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
The IUPAC name of [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine (CID 65091393) is [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine.
What is the SMILES notation for [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
The canonical SMILES for [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine is CC(C)C1CCCC(CN)(N2CCCN(C)CC2)CC1.
What is the InChIKey of [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
The InChIKey is KESZWYBXEFFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)16-6-4-8-17(14-18,9-7-16)20-11-5-10-19(3)12-13-20/h15-16H,4-14,18H2,1-3H3.
What are the key properties of [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine?
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine is sourced from PubChem (CID 65091393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).