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

C14H28N2 — CID 79050668

IUPAC4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine
SMILESC=CC(NCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C14H28N2/c1-5-13(15-6-2)14(3,4)16-11-9-7-8-10-12-16/h5,13,15H,1,6-12H2,2-4H3
InChIKeyYQSPLZOFTXAMDD-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds5

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

4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine (PubChem CID 79050668) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine
PubChem CID79050668
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine
SMILESC=CC(NCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C14H28N2/c1-5-13(15-6-2)14(3,4)16-11-9-7-8-10-12-16/h5,13,15H,1,6-12H2,2-4H3
InChIKeyYQSPLZOFTXAMDD-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
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-4-methylpent-1-en-3-amine?
The IUPAC name of 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine (CID 79050668) is 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine is C=CC(NCC)C(C)(C)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine?
The InChIKey is YQSPLZOFTXAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-13(15-6-2)14(3,4)16-11-9-7-8-10-12-16/h5,13,15H,1,6-12H2,2-4H3.
What are the key properties of 4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine?
4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 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-4-methylpent-1-en-3-amine is sourced from PubChem (CID 79050668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).