[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine

C16H33N3 — CID 65076024

IUPAC[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine
SMILESCCN1CCCC(CN)(N2CCC(C)CC2C)CC1
InChIInChI=1S/C16H33N3/c1-4-18-9-5-7-16(13-17,8-11-18)19-10-6-14(2)12-15(19)3/h14-15H,4-13,17H2,1-3H3
InChIKeyXVOOTLNHCSLQCO-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds3

About [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine

[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine (PubChem CID 65076024) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine
PubChem CID65076024
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine
SMILESCCN1CCCC(CN)(N2CCC(C)CC2C)CC1
InChIInChI=1S/C16H33N3/c1-4-18-9-5-7-16(13-17,8-11-18)19-10-6-14(2)12-15(19)3/h14-15H,4-13,17H2,1-3H3
InChIKeyXVOOTLNHCSLQCO-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine?
The IUPAC name of [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine (CID 65076024) is [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine?
The canonical SMILES for [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine is CCN1CCCC(CN)(N2CCC(C)CC2C)CC1.
What is the InChIKey of [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine?
The InChIKey is XVOOTLNHCSLQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-18-9-5-7-16(13-17,8-11-18)19-10-6-14(2)12-15(19)3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine?
[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine is sourced from PubChem (CID 65076024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).