N-methyl-N-prop-2-enylazepan-4-amine

C10H20N2 — CID 104979539

IUPACN-methyl-N-prop-2-enylazepan-4-amine
SMILESC=CCN(C)C1CCCNCC1
InChIInChI=1S/C10H20N2/c1-3-9-12(2)10-5-4-7-11-8-6-10/h3,10-11H,1,4-9H2,2H3
InChIKeyAJCLUSJVPOLZFG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-N-prop-2-enylazepan-4-amine

N-methyl-N-prop-2-enylazepan-4-amine (PubChem CID 104979539) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylazepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylazepan-4-amine
PubChem CID104979539
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-N-prop-2-enylazepan-4-amine
SMILESC=CCN(C)C1CCCNCC1
InChIInChI=1S/C10H20N2/c1-3-9-12(2)10-5-4-7-11-8-6-10/h3,10-11H,1,4-9H2,2H3
InChIKeyAJCLUSJVPOLZFG-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-prop-2-enylazepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylazepan-4-amine?
The IUPAC name of N-methyl-N-prop-2-enylazepan-4-amine (CID 104979539) is N-methyl-N-prop-2-enylazepan-4-amine.
What is the SMILES notation for N-methyl-N-prop-2-enylazepan-4-amine?
The canonical SMILES for N-methyl-N-prop-2-enylazepan-4-amine is C=CCN(C)C1CCCNCC1.
What is the InChIKey of N-methyl-N-prop-2-enylazepan-4-amine?
The InChIKey is AJCLUSJVPOLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-9-12(2)10-5-4-7-11-8-6-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-methyl-N-prop-2-enylazepan-4-amine?
N-methyl-N-prop-2-enylazepan-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylazepan-4-amine is sourced from PubChem (CID 104979539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).