3-[(2-methylidenecyclohexyl)amino]propanamide

C10H18N2O — CID 123333707

IUPAC3-[(2-methylidenecyclohexyl)amino]propanamide
SMILESC=C1CCCCC1NCCC(N)=O
InChIInChI=1S/C10H18N2O/c1-8-4-2-3-5-9(8)12-7-6-10(11)13/h9,12H,1-7H2,(H2,11,13)
InChIKeyVZWHIDPCZZSFTR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.95
Rot. Bonds4

About 3-[(2-methylidenecyclohexyl)amino]propanamide

3-[(2-methylidenecyclohexyl)amino]propanamide (PubChem CID 123333707) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(2-methylidenecyclohexyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-methylidenecyclohexyl)amino]propanamide
PubChem CID123333707
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[(2-methylidenecyclohexyl)amino]propanamide
SMILESC=C1CCCCC1NCCC(N)=O
InChIInChI=1S/C10H18N2O/c1-8-4-2-3-5-9(8)12-7-6-10(11)13/h9,12H,1-7H2,(H2,11,13)
InChIKeyVZWHIDPCZZSFTR-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.95
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-Methylidene-3-(propan-2-ylamino)pentanamide
CID 21428483
3-(Ethylamino)-2-methylidenepentanamide
CID 22497379
N-(4-methylidenecyclohexyl)propanamide
CID 58902762
2-[(4-Methylidenecyclohexyl)amino]acetamide
CID 58902781
N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide
CID 89028667
2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide
CID 90161951
N-[2-[(2-methylidenecyclohexyl)amino]ethyl]acetamide
CID 123830915
N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 123849015
3-[(2-Methylidenecyclohexyl)amino]propanehydrazide
CID 123920336
2-Methylidene-3-(propylamino)pentanamide
CID 140477245
2-Methylidene-3-(propylamino)hexanamide
CID 140477248
2,2-dimethyl-N-(4-methylidenecyclohexyl)propanamide
CID 140516359

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylidenecyclohexyl)amino]propanamide?
The IUPAC name of 3-[(2-methylidenecyclohexyl)amino]propanamide (CID 123333707) is 3-[(2-methylidenecyclohexyl)amino]propanamide.
What is the SMILES notation for 3-[(2-methylidenecyclohexyl)amino]propanamide?
The canonical SMILES for 3-[(2-methylidenecyclohexyl)amino]propanamide is C=C1CCCCC1NCCC(N)=O.
What is the InChIKey of 3-[(2-methylidenecyclohexyl)amino]propanamide?
The InChIKey is VZWHIDPCZZSFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-4-2-3-5-9(8)12-7-6-10(11)13/h9,12H,1-7H2,(H2,11,13).
What are the key properties of 3-[(2-methylidenecyclohexyl)amino]propanamide?
3-[(2-methylidenecyclohexyl)amino]propanamide has a molecular weight of 182.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylidenecyclohexyl)amino]propanamide is sourced from PubChem (CID 123333707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).