4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine

C15H30N2 — CID 79179719

IUPAC4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H30N2/c1-6-16-14(13(2)3)15(4,5)17-11-9-7-8-10-12-17/h14,16H,2,6-12H2,1,3-5H3
InChIKeyAVIYDNHNQXVUOE-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds5

About 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine

4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine (PubChem CID 79179719) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine
PubChem CID79179719
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H30N2/c1-6-16-14(13(2)3)15(4,5)17-11-9-7-8-10-12-17/h14,16H,2,6-12H2,1,3-5H3
InChIKeyAVIYDNHNQXVUOE-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
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 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine?
The IUPAC name of 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine (CID 79179719) is 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine is C=C(C)C(NCC)C(C)(C)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine?
The InChIKey is AVIYDNHNQXVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-16-14(13(2)3)15(4,5)17-11-9-7-8-10-12-17/h14,16H,2,6-12H2,1,3-5H3.
What are the key properties of 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine?
4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 79179719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).