N-(2-piperidin-1-ylethyl)azepan-4-amine

C13H27N3 — CID 103981872

IUPACN-(2-piperidin-1-ylethyl)azepan-4-amine
SMILESC1CCN(CCNC2CCCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-2-10-16(11-3-1)12-9-15-13-5-4-7-14-8-6-13/h13-15H,1-12H2
InChIKeyGWPUMVPYUBYSRG-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.20
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)azepan-4-amine

N-(2-piperidin-1-ylethyl)azepan-4-amine (PubChem CID 103981872) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)azepan-4-amine
PubChem CID103981872
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-(2-piperidin-1-ylethyl)azepan-4-amine
SMILESC1CCN(CCNC2CCCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-2-10-16(11-3-1)12-9-15-13-5-4-7-14-8-6-13/h13-15H,1-12H2
InChIKeyGWPUMVPYUBYSRG-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 61016051
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanamine
CID 62574223

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)azepan-4-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)azepan-4-amine (CID 103981872) is N-(2-piperidin-1-ylethyl)azepan-4-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)azepan-4-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)azepan-4-amine is C1CCN(CCNC2CCCNCC2)CC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)azepan-4-amine?
The InChIKey is GWPUMVPYUBYSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-10-16(11-3-1)12-9-15-13-5-4-7-14-8-6-13/h13-15H,1-12H2.
What are the key properties of N-(2-piperidin-1-ylethyl)azepan-4-amine?
N-(2-piperidin-1-ylethyl)azepan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)azepan-4-amine is sourced from PubChem (CID 103981872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).