4-(azepan-1-yl)-4-methylpent-1-en-3-amine

C12H24N2 — CID 79051081

IUPAC4-(azepan-1-yl)-4-methylpent-1-en-3-amine
SMILESC=CC(N)C(C)(C)N1CCCCCC1
InChIInChI=1S/C12H24N2/c1-4-11(13)12(2,3)14-9-7-5-6-8-10-14/h4,11H,1,5-10,13H2,2-3H3
InChIKeyZCNLVVZCWAKADH-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.15
Rot. Bonds3

About 4-(azepan-1-yl)-4-methylpent-1-en-3-amine

4-(azepan-1-yl)-4-methylpent-1-en-3-amine (PubChem CID 79051081) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-(azepan-1-yl)-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-4-methylpent-1-en-3-amine
PubChem CID79051081
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-(azepan-1-yl)-4-methylpent-1-en-3-amine
SMILESC=CC(N)C(C)(C)N1CCCCCC1
InChIInChI=1S/C12H24N2/c1-4-11(13)12(2,3)14-9-7-5-6-8-10-14/h4,11H,1,5-10,13H2,2-3H3
InChIKeyZCNLVVZCWAKADH-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.15
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)-4-methylpent-1-en-3-amine?
The IUPAC name of 4-(azepan-1-yl)-4-methylpent-1-en-3-amine (CID 79051081) is 4-(azepan-1-yl)-4-methylpent-1-en-3-amine.
What is the SMILES notation for 4-(azepan-1-yl)-4-methylpent-1-en-3-amine?
The canonical SMILES for 4-(azepan-1-yl)-4-methylpent-1-en-3-amine is C=CC(N)C(C)(C)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-4-methylpent-1-en-3-amine?
The InChIKey is ZCNLVVZCWAKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-11(13)12(2,3)14-9-7-5-6-8-10-14/h4,11H,1,5-10,13H2,2-3H3.
What are the key properties of 4-(azepan-1-yl)-4-methylpent-1-en-3-amine?
4-(azepan-1-yl)-4-methylpent-1-en-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-4-methylpent-1-en-3-amine is sourced from PubChem (CID 79051081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).