2-[(4-methylidenecyclohexyl)amino]acetamide

C9H16N2O — CID 58902781

IUPAC2-[(4-methylidenecyclohexyl)amino]acetamide
SMILESC=C1CCC(NCC(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-7-2-4-8(5-3-7)11-6-9(10)12/h8,11H,1-6H2,(H2,10,12)
InChIKeyUXRALGMXWPXMMJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds3

About 2-[(4-methylidenecyclohexyl)amino]acetamide

2-[(4-methylidenecyclohexyl)amino]acetamide (PubChem CID 58902781) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(4-methylidenecyclohexyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-methylidenecyclohexyl)amino]acetamide
PubChem CID58902781
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(4-methylidenecyclohexyl)amino]acetamide
SMILESC=C1CCC(NCC(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-7-2-4-8(5-3-7)11-6-9(10)12/h8,11H,1-6H2,(H2,10,12)
InChIKeyUXRALGMXWPXMMJ-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Fluoro-4-methylidenecyclohexyl)methylamino]acetamide
CID 90824802
4-(4-Methylidenecyclohexyl)piperazin-2-one
CID 58902675
N,N-dimethyl-2-[(4-methylidenecyclohexyl)amino]acetamide
CID 58902682
2-(Oct-7-en-2-ylamino)acetamide
CID 88130378
N-(2-acetamido-4-methylidenecyclohexyl)acetamide
CID 91260534
3-[(2-Methylidenecyclohexyl)amino]propanamide
CID 123333707
2-amino-N-(2-methylhept-1-en-3-yl)acetamide
CID 123785275
N-[2-[(2-methylidenecyclohexyl)amino]ethyl]acetamide
CID 123830915
N-ethyl-N-[2-(5-methylhex-5-en-2-ylamino)ethyl]acetamide
CID 164041910
2-(Hept-6-enylamino)acetamide
CID 12878203
2-[2-(Cyclohexen-1-yl)ethylamino]propanamide
CID 60674339
2-(Hept-6-enylamino)propanamide
CID 107006582

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylidenecyclohexyl)amino]acetamide?
The IUPAC name of 2-[(4-methylidenecyclohexyl)amino]acetamide (CID 58902781) is 2-[(4-methylidenecyclohexyl)amino]acetamide.
What is the SMILES notation for 2-[(4-methylidenecyclohexyl)amino]acetamide?
The canonical SMILES for 2-[(4-methylidenecyclohexyl)amino]acetamide is C=C1CCC(NCC(N)=O)CC1.
What is the InChIKey of 2-[(4-methylidenecyclohexyl)amino]acetamide?
The InChIKey is UXRALGMXWPXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-2-4-8(5-3-7)11-6-9(10)12/h8,11H,1-6H2,(H2,10,12).
What are the key properties of 2-[(4-methylidenecyclohexyl)amino]acetamide?
2-[(4-methylidenecyclohexyl)amino]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylidenecyclohexyl)amino]acetamide is sourced from PubChem (CID 58902781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).