N-prop-2-enyl-1H-azepin-2-amine

C9H12N2 — CID 162393129

IUPACN-prop-2-enyl-1H-azepin-2-amine
SMILESC=CCNC1=CC=CC=CN1
InChIInChI=1S/C9H12N2/c1-2-7-10-9-6-4-3-5-8-11-9/h2-6,8,10-11H,1,7H2
InChIKeyABZXSIAINPXMQH-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.28
Rot. Bonds3

About N-prop-2-enyl-1H-azepin-2-amine

N-prop-2-enyl-1H-azepin-2-amine (PubChem CID 162393129) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-prop-2-enyl-1H-azepin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1H-azepin-2-amine
PubChem CID162393129
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-prop-2-enyl-1H-azepin-2-amine
SMILESC=CCNC1=CC=CC=CN1
InChIInChI=1S/C9H12N2/c1-2-7-10-9-6-4-3-5-8-11-9/h2-6,8,10-11H,1,7H2
InChIKeyABZXSIAINPXMQH-UHFFFAOYSA-N
XLogP1.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-azepin-2-amine?
The IUPAC name of N-prop-2-enyl-1H-azepin-2-amine (CID 162393129) is N-prop-2-enyl-1H-azepin-2-amine.
What is the SMILES notation for N-prop-2-enyl-1H-azepin-2-amine?
The canonical SMILES for N-prop-2-enyl-1H-azepin-2-amine is C=CCNC1=CC=CC=CN1.
What is the InChIKey of N-prop-2-enyl-1H-azepin-2-amine?
The InChIKey is ABZXSIAINPXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-10-9-6-4-3-5-8-11-9/h2-6,8,10-11H,1,7H2.
What are the key properties of N-prop-2-enyl-1H-azepin-2-amine?
N-prop-2-enyl-1H-azepin-2-amine has a molecular weight of 148.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-azepin-2-amine is sourced from PubChem (CID 162393129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).