5-(2H-azepin-2-yl)pentan-1-amine

C11H18N2 — CID 23362640

IUPAC5-(2H-azepin-2-yl)pentan-1-amine
SMILESNCCCCCC1C=CC=CC=N1
InChIInChI=1S/C11H18N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h2,4,6,8,10-11H,1,3,5,7,9,12H2
InChIKeyAMWMHNHUARIDSU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.07
Rot. Bonds5

About 5-(2H-azepin-2-yl)pentan-1-amine

5-(2H-azepin-2-yl)pentan-1-amine (PubChem CID 23362640) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-(2H-azepin-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2H-azepin-2-yl)pentan-1-amine
PubChem CID23362640
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-(2H-azepin-2-yl)pentan-1-amine
SMILESNCCCCCC1C=CC=CC=N1
InChIInChI=1S/C11H18N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h2,4,6,8,10-11H,1,3,5,7,9,12H2
InChIKeyAMWMHNHUARIDSU-UHFFFAOYSA-N
XLogP2.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-azepin-2-yl)pentan-1-amine?
The IUPAC name of 5-(2H-azepin-2-yl)pentan-1-amine (CID 23362640) is 5-(2H-azepin-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(2H-azepin-2-yl)pentan-1-amine?
The canonical SMILES for 5-(2H-azepin-2-yl)pentan-1-amine is NCCCCCC1C=CC=CC=N1.
What is the InChIKey of 5-(2H-azepin-2-yl)pentan-1-amine?
The InChIKey is AMWMHNHUARIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h2,4,6,8,10-11H,1,3,5,7,9,12H2.
What are the key properties of 5-(2H-azepin-2-yl)pentan-1-amine?
5-(2H-azepin-2-yl)pentan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-azepin-2-yl)pentan-1-amine is sourced from PubChem (CID 23362640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).