4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide

C12H22N2O2 — CID 142585991

IUPAC4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(N(C)C=O)CC1
InChIInChI=1S/C12H22N2O2/c1-13(2)12(16)10-5-4-6-11(8-7-10)14(3)9-15/h9-11H,4-8H2,1-3H3
InChIKeyWCBBBCGKLZUMBQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds3

About 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide

4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide (PubChem CID 142585991) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide
PubChem CID142585991
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(N(C)C=O)CC1
InChIInChI=1S/C12H22N2O2/c1-13(2)12(16)10-5-4-6-11(8-7-10)14(3)9-15/h9-11H,4-8H2,1-3H3
InChIKeyWCBBBCGKLZUMBQ-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-N-methylcyclopropanecarboxamide
CID 89047170
N-(azocan-5-yl)-N-methylformamide
CID 143070337
amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid
CID 135146122
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide
CID 57258443
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide
CID 163396379
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
CID 115270234
(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 170648409

Frequently Asked Questions

What is the IUPAC name of 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide?
The IUPAC name of 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide (CID 142585991) is 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide.
What is the SMILES notation for 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide?
The canonical SMILES for 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide is CN(C)C(=O)C1CCCC(N(C)C=O)CC1.
What is the InChIKey of 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide?
The InChIKey is WCBBBCGKLZUMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13(2)12(16)10-5-4-6-11(8-7-10)14(3)9-15/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide?
4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide is sourced from PubChem (CID 142585991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).