N-(1-methylazepan-2-ylidene)benzamide

C14H18N2O — CID 2345180

IUPACN-(1-methylazepan-2-ylidene)benzamide
SMILESCN1CCCCC/C1=N\C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-16-11-7-3-6-10-13(16)15-14(17)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-13+
InChIKeyDAEHWFKWZFKPNF-FYWRMAATSA-N
MW230.31 g/mol
LogP2.73
Rot. Bonds1

About N-(1-methylazepan-2-ylidene)benzamide

N-(1-methylazepan-2-ylidene)benzamide (PubChem CID 2345180) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-methylazepan-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(1-methylazepan-2-ylidene)benzamide
PubChem CID2345180
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-methylazepan-2-ylidene)benzamide
SMILESCN1CCCCC/C1=N\C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-16-11-7-3-6-10-13(16)15-14(17)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-13+
InChIKeyDAEHWFKWZFKPNF-FYWRMAATSA-N
XLogP2.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea
CID 21413896
(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea
CID 21413877
(1Z)-1-(1-methylpyrrolidin-2-ylidene)-3-phenylthiourea
CID 88785803
(3Z)-1-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-(1-methylpyrrolidin-2-ylidene)urea
CID 164511451
1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea
CID 54512666
(3Z)-3-[amino(phenyl)methylidene]-1-methylazepan-2-one
CID 101022004
1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
CID 3080000
3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
(3E)-1-[2,6-di(propan-2-yl)phenyl]-3-(1-methylpyrrolidin-2-ylidene)urea;hydrochloride
CID 6446893
(2R)-3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid
CID 3064594
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 66630041
4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane
CID 167707987

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-2-ylidene)benzamide?
The IUPAC name of N-(1-methylazepan-2-ylidene)benzamide (CID 2345180) is N-(1-methylazepan-2-ylidene)benzamide.
What is the SMILES notation for N-(1-methylazepan-2-ylidene)benzamide?
The canonical SMILES for N-(1-methylazepan-2-ylidene)benzamide is CN1CCCCC/C1=N\C(=O)c1ccccc1.
What is the InChIKey of N-(1-methylazepan-2-ylidene)benzamide?
The InChIKey is DAEHWFKWZFKPNF-FYWRMAATSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-11-7-3-6-10-13(16)15-14(17)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-13+.
What are the key properties of N-(1-methylazepan-2-ylidene)benzamide?
N-(1-methylazepan-2-ylidene)benzamide has a molecular weight of 230.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-2-ylidene)benzamide is sourced from PubChem (CID 2345180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).