2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide

C15H27N3O — CID 104979519

IUPAC2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C15H27N3O/c1-4-11-18(12-5-2)15(19)13-17(3)14-7-6-9-16-10-8-14/h4-5,14,16H,1-2,6-13H2,3H3
InChIKeyQBWJLHMIXDTCSZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.26
Rot. Bonds7

About 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide

2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 104979519) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID104979519
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C15H27N3O/c1-4-11-18(12-5-2)15(19)13-17(3)14-7-6-9-16-10-8-14/h4-5,14,16H,1-2,6-13H2,3H3
InChIKeyQBWJLHMIXDTCSZ-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[methyl(piperidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 119912437
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
CID 106439564
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 104979626
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
CID 107173356
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide (CID 104979519) is 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN(C)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QBWJLHMIXDTCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-11-18(12-5-2)15(19)13-17(3)14-7-6-9-16-10-8-14/h4-5,14,16H,1-2,6-13H2,3H3.
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 104979519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).