[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine

C15H31N3 — CID 65078792

IUPAC[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
SMILESCCN1CCCC(CN)(N2CCC(C)CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-17-9-4-7-15(13-16,8-12-17)18-10-5-14(2)6-11-18/h14H,3-13,16H2,1-2H3
InChIKeyOBDILKZADZCPCJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine

[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine (PubChem CID 65078792) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
PubChem CID65078792
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
SMILESCCN1CCCC(CN)(N2CCC(C)CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-17-9-4-7-15(13-16,8-12-17)18-10-5-14(2)6-11-18/h14H,3-13,16H2,1-2H3
InChIKeyOBDILKZADZCPCJ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine?
The IUPAC name of [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine (CID 65078792) is [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine?
The canonical SMILES for [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine is CCN1CCCC(CN)(N2CCC(C)CC2)CC1.
What is the InChIKey of [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine?
The InChIKey is OBDILKZADZCPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-17-9-4-7-15(13-16,8-12-17)18-10-5-14(2)6-11-18/h14H,3-13,16H2,1-2H3.
What are the key properties of [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine?
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 65078792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).