N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine

C15H31N3 — CID 114235418

IUPACN-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCCC1NCCN1CCCCCC1
InChIInChI=1S/C15H31N3/c1-15(2)13-16-8-7-14(15)17-9-12-18-10-5-3-4-6-11-18/h14,16-17H,3-13H2,1-2H3
InChIKeyQRXXLIOUHSKIQI-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine

N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 114235418) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine
PubChem CID114235418
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCCC1NCCN1CCCCCC1
InChIInChI=1S/C15H31N3/c1-15(2)13-16-8-7-14(15)17-9-12-18-10-5-3-4-6-11-18/h14,16-17H,3-13H2,1-2H3
InChIKeyQRXXLIOUHSKIQI-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine
CID 115719262
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998876
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114547459
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine (CID 114235418) is N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CNCCC1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is QRXXLIOUHSKIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2)13-16-8-7-14(15)17-9-12-18-10-5-3-4-6-11-18/h14,16-17H,3-13H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine?
N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114235418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).