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

C13H26N2 — CID 79051095

IUPAC4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine
SMILESC=CC(NC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H26N2/c1-5-12(14-4)13(2,3)15-10-8-6-7-9-11-15/h5,12,14H,1,6-11H2,2-4H3
InChIKeyXFVRSSQJECEBQW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds4

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

4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine (PubChem CID 79051095) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine
PubChem CID79051095
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine
SMILESC=CC(NC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H26N2/c1-5-12(14-4)13(2,3)15-10-8-6-7-9-11-15/h5,12,14H,1,6-11H2,2-4H3
InChIKeyXFVRSSQJECEBQW-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
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,4-dimethylpent-1-en-3-amine?
The IUPAC name of 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine (CID 79051095) is 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine?
The canonical SMILES for 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine is C=CC(NC)C(C)(C)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine?
The InChIKey is XFVRSSQJECEBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-12(14-4)13(2,3)15-10-8-6-7-9-11-15/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of 4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine?
4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 4 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,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 79051095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).