N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine

C15H31N3 — CID 79715823

IUPACN-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
SMILESCCN(CC1CCNCC1)C1CCCN(C)CC1
InChIInChI=1S/C15H31N3/c1-3-18(13-14-6-9-16-10-7-14)15-5-4-11-17(2)12-8-15/h14-16H,3-13H2,1-2H3
InChIKeyLVXZUQDFGXVZAO-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

About N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine

N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine (PubChem CID 79715823) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
PubChem CID79715823
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
SMILESCCN(CC1CCNCC1)C1CCCN(C)CC1
InChIInChI=1S/C15H31N3/c1-3-18(13-14-6-9-16-10-7-14)15-5-4-11-17(2)12-8-15/h14-16H,3-13H2,1-2H3
InChIKeyLVXZUQDFGXVZAO-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine?
The IUPAC name of N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine (CID 79715823) is N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine?
The canonical SMILES for N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine is CCN(CC1CCNCC1)C1CCCN(C)CC1.
What is the InChIKey of N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine?
The InChIKey is LVXZUQDFGXVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-18(13-14-6-9-16-10-7-14)15-5-4-11-17(2)12-8-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine?
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine is sourced from PubChem (CID 79715823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).