1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone

C14H24N2O — CID 54817920

IUPAC1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone
SMILESC=CCN(CC=C)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-3-9-15(10-4-2)13-14(17)16-11-7-5-6-8-12-16/h3-4H,1-2,5-13H2
InChIKeyKQKZYYBUAWHQPT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds6

About 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone

1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone (PubChem CID 54817920) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone
PubChem CID54817920
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone
SMILESC=CCN(CC=C)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-3-9-15(10-4-2)13-14(17)16-11-7-5-6-8-12-16/h3-4H,1-2,5-13H2
InChIKeyKQKZYYBUAWHQPT-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
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-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone (CID 54817920) is 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone is C=CCN(CC=C)CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone?
The InChIKey is KQKZYYBUAWHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-9-15(10-4-2)13-14(17)16-11-7-5-6-8-12-16/h3-4H,1-2,5-13H2.
What are the key properties of 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone?
1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone has a molecular weight of 236.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone is sourced from PubChem (CID 54817920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).