2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide

C14H24N2O — CID 54814733

IUPAC2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-3-9-16(10-4-2)14(17)13-15-11-7-5-6-8-12-15/h3-4H,1-2,5-13H2
InChIKeyGFLSILSJAXHQNY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds6

About 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide

2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 54814733) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID54814733
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-3-9-16(10-4-2)14(17)13-15-11-7-5-6-8-12-15/h3-4H,1-2,5-13H2
InChIKeyGFLSILSJAXHQNY-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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Related Compounds

1-(Azepan-1-yl)-2-(prop-2-enylamino)ethanone
CID 28563510
2-(azepan-1-yl)-N-prop-2-enylacetamide
CID 52140292
N,N-dimethyl-2-(4-prop-2-enyl-1,4-diazepan-1-yl)acetamide
CID 53524964
2-(4-ethyl-1,4-diazepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 53593995
2-piperidin-1-yl-N,N-bis(prop-2-enyl)acetamide
CID 54813747
2-[Bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone
CID 54817889
1-(Azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone
CID 54817920
2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 78791139
2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 78841599
2-[[2-(Azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276860
N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79277769
N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573163

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide (CID 54814733) is 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is GFLSILSJAXHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-9-16(10-4-2)14(17)13-15-11-7-5-6-8-12-15/h3-4H,1-2,5-13H2.
What are the key properties of 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide 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 2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 54814733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).