N-[2-(azepan-1-yl)ethyl]propan-2-amine

C11H24N2 — CID 23518735

IUPACN-[2-(azepan-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCCCC1
InChIInChI=1S/C11H24N2/c1-11(2)12-7-10-13-8-5-3-4-6-9-13/h11-12H,3-10H2,1-2H3
InChIKeyRMZFCHGMKNLUEN-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]propan-2-amine

N-[2-(azepan-1-yl)ethyl]propan-2-amine (PubChem CID 23518735) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]propan-2-amine
PubChem CID23518735
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCCCC1
InChIInChI=1S/C11H24N2/c1-11(2)12-7-10-13-8-5-3-4-6-9-13/h11-12H,3-10H2,1-2H3
InChIKeyRMZFCHGMKNLUEN-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]propan-2-amine (CID 23518735) is N-[2-(azepan-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]propan-2-amine is CC(C)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]propan-2-amine?
The InChIKey is RMZFCHGMKNLUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2)12-7-10-13-8-5-3-4-6-9-13/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]propan-2-amine?
N-[2-(azepan-1-yl)ethyl]propan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 23518735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).