N-[(E)-(3-methylcyclohexylidene)amino]acetamide

C9H16N2O — CID 6385889

IUPACN-[(E)-(3-methylcyclohexylidene)amino]acetamide
SMILESCC(=O)N/N=C1\CCCC(C)C1
InChIInChI=1S/C9H16N2O/c1-7-4-3-5-9(6-7)11-10-8(2)12/h7H,3-6H2,1-2H3,(H,10,12)/b11-9+
InChIKeyGOLYTXMWNXUAES-PKNBQFBNSA-N
MW168.24 g/mol
LogP1.69
Rot. Bonds1

About N-[(E)-(3-methylcyclohexylidene)amino]acetamide

N-[(E)-(3-methylcyclohexylidene)amino]acetamide (PubChem CID 6385889) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(E)-(3-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methylcyclohexylidene)amino]acetamide
PubChem CID6385889
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(E)-(3-methylcyclohexylidene)amino]acetamide
SMILESCC(=O)N/N=C1\CCCC(C)C1
InChIInChI=1S/C9H16N2O/c1-7-4-3-5-9(6-7)11-10-8(2)12/h7H,3-6H2,1-2H3,(H,10,12)/b11-9+
InChIKeyGOLYTXMWNXUAES-PKNBQFBNSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-(3-methylcyclohexylidene)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
[(Z)-(3-methylcyclooctylidene)amino]urea
CID 90482071
ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate
CID 7115126
[[(3R)-3-methylcyclohexylidene]amino]thiourea
CID 124838605
2-N,5-N-bis[(Z)-[(3S)-3-methylcyclohexylidene]amino]furan-2,5-dicarboxamide
CID 51900558
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
N-[(3-methylcyclohexylidene)amino]hexanamide
CID 3593486
2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27459585

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylcyclohexylidene)amino]acetamide?
The IUPAC name of N-[(E)-(3-methylcyclohexylidene)amino]acetamide (CID 6385889) is N-[(E)-(3-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for N-[(E)-(3-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for N-[(E)-(3-methylcyclohexylidene)amino]acetamide is CC(=O)N/N=C1\CCCC(C)C1.
What is the InChIKey of N-[(E)-(3-methylcyclohexylidene)amino]acetamide?
The InChIKey is GOLYTXMWNXUAES-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-4-3-5-9(6-7)11-10-8(2)12/h7H,3-6H2,1-2H3,(H,10,12)/b11-9+.
What are the key properties of N-[(E)-(3-methylcyclohexylidene)amino]acetamide?
N-[(E)-(3-methylcyclohexylidene)amino]acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 6385889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).