4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine

C15H30N2 — CID 79051678

IUPAC4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine
SMILESC=CC(NCCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H30N2/c1-5-11-16-14(6-2)15(3,4)17-12-9-7-8-10-13-17/h6,14,16H,2,5,7-13H2,1,3-4H3
InChIKeyJOMBJIWUADVPCU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

About 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine

4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine (PubChem CID 79051678) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine
PubChem CID79051678
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine
SMILESC=CC(NCCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H30N2/c1-5-11-16-14(6-2)15(3,4)17-12-9-7-8-10-13-17/h6,14,16H,2,5,7-13H2,1,3-4H3
InChIKeyJOMBJIWUADVPCU-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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)-4-methyl-N-propylpent-1-en-3-amine?
The IUPAC name of 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine (CID 79051678) is 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine.
What is the SMILES notation for 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine?
The canonical SMILES for 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine is C=CC(NCCC)C(C)(C)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine?
The InChIKey is JOMBJIWUADVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-11-16-14(6-2)15(3,4)17-12-9-7-8-10-13-17/h6,14,16H,2,5,7-13H2,1,3-4H3.
What are the key properties of 4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine?
4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 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-methyl-N-propylpent-1-en-3-amine is sourced from PubChem (CID 79051678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).