N-methyl-N-(3-methylidenecyclohexyl)acetamide

C10H17NO — CID 90986487

IUPACN-methyl-N-(3-methylidenecyclohexyl)acetamide
SMILESC=C1CCCC(N(C)C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-8-5-4-6-10(7-8)11(3)9(2)12/h10H,1,4-7H2,2-3H3
InChIKeyROMYUKOHGVCFBP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds1

About N-methyl-N-(3-methylidenecyclohexyl)acetamide

N-methyl-N-(3-methylidenecyclohexyl)acetamide (PubChem CID 90986487) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methyl-N-(3-methylidenecyclohexyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylidenecyclohexyl)acetamide
PubChem CID90986487
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methyl-N-(3-methylidenecyclohexyl)acetamide
SMILESC=C1CCCC(N(C)C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-8-5-4-6-10(7-8)11(3)9(2)12/h10H,1,4-7H2,2-3H3
InChIKeyROMYUKOHGVCFBP-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
N,N-dimethyl-3-methylidenecyclohexane-1-carbothioamide
CID 91341416
ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
CID 177204189
methyl N-methyl-N-(3-oxocyclohexyl)carbamate
CID 45119437
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
CID 159886924
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
3-methylidenecyclohexan-1-ol
CID 13244819
1-chloro-3-methylidenecyclohexane
CID 23528892
N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
CID 91270181
N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
CID 140577346
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylacetamide
CID 174748240

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylidenecyclohexyl)acetamide?
The IUPAC name of N-methyl-N-(3-methylidenecyclohexyl)acetamide (CID 90986487) is N-methyl-N-(3-methylidenecyclohexyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methylidenecyclohexyl)acetamide?
The canonical SMILES for N-methyl-N-(3-methylidenecyclohexyl)acetamide is C=C1CCCC(N(C)C(C)=O)C1.
What is the InChIKey of N-methyl-N-(3-methylidenecyclohexyl)acetamide?
The InChIKey is ROMYUKOHGVCFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-4-6-10(7-8)11(3)9(2)12/h10H,1,4-7H2,2-3H3.
What are the key properties of N-methyl-N-(3-methylidenecyclohexyl)acetamide?
N-methyl-N-(3-methylidenecyclohexyl)acetamide has a molecular weight of 167.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylidenecyclohexyl)acetamide is sourced from PubChem (CID 90986487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).