1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine

C14H28N2 — CID 123809409

IUPAC1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine
SMILESC=CC1CCCCC(C(CC)NC)N1CC
InChIInChI=1S/C14H28N2/c1-5-12-10-8-9-11-14(16(12)7-3)13(6-2)15-4/h5,12-15H,1,6-11H2,2-4H3
InChIKeyQXSYUVXTVYKWDR-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.80
Rot. Bonds5

About 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine

1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine (PubChem CID 123809409) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine
PubChem CID123809409
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine
SMILESC=CC1CCCCC(C(CC)NC)N1CC
InChIInChI=1S/C14H28N2/c1-5-12-10-8-9-11-14(16(12)7-3)13(6-2)15-4/h5,12-15H,1,6-11H2,2-4H3
InChIKeyQXSYUVXTVYKWDR-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine (CID 123809409) is 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine is C=CC1CCCCC(C(CC)NC)N1CC.
What is the InChIKey of 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine?
The InChIKey is QXSYUVXTVYKWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-12-10-8-9-11-14(16(12)7-3)13(6-2)15-4/h5,12-15H,1,6-11H2,2-4H3.
What are the key properties of 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine?
1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 123809409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).