N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide

C15H28N2O — CID 123849015

IUPACN-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide
SMILESC=C1CCCCC1NCCC(=O)N(C)CC(C)C
InChIInChI=1S/C15H28N2O/c1-12(2)11-17(4)15(18)9-10-16-14-8-6-5-7-13(14)3/h12,14,16H,3,5-11H2,1-2,4H3
InChIKeyFFHLFPJDIHOPMI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide

N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 123849015) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID123849015
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide
SMILESC=C1CCCCC1NCCC(=O)N(C)CC(C)C
InChIInChI=1S/C15H28N2O/c1-12(2)11-17(4)15(18)9-10-16-14-8-6-5-7-13(14)3/h12,14,16H,3,5-11H2,1-2,4H3
InChIKeyFFHLFPJDIHOPMI-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide
CID 18628282
N-(4-methylidenecyclohexyl)acetamide
CID 58902716
N-(4-methylidenecyclohexyl)cyclopropanecarboxamide
CID 58902731
N-(4-methylidenecyclohexyl)propanamide
CID 58902762
N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide
CID 87504308
3-amino-N-ethyl-2-methylidenepentanamide
CID 87980926
N-[1-(dimethylamino)hex-5-en-3-yl]-2-methylprop-2-enamide
CID 88028934
N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide
CID 89028667
N-[(1S)-2-ethenylidenecyclohexyl]acetamide
CID 89291930
4-methyl-N-[3-(propan-2-ylamino)propyl]pent-4-enamide
CID 89729425
2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide
CID 90161951
N-(3-methylidenecyclohexyl)acetamide
CID 90736034

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide (CID 123849015) is N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide is C=C1CCCCC1NCCC(=O)N(C)CC(C)C.
What is the InChIKey of N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is FFHLFPJDIHOPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)11-17(4)15(18)9-10-16-14-8-6-5-7-13(14)3/h12,14,16H,3,5-11H2,1-2,4H3.
What are the key properties of N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide?
N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 252.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 123849015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).