N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide

C14H28N2O — CID 60850780

IUPACN-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
SMILESCC1CCCC(NC(=O)CCCNC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-5-8-14(17)16-13-7-4-6-12(3)10-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyUODHGYYEMZVSBM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide

N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60850780) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
PubChem CID60850780
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
SMILESCC1CCCC(NC(=O)CCCNC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-5-8-14(17)16-13-7-4-6-12(3)10-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyUODHGYYEMZVSBM-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
N-(3-methylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 114546265
N-(3-methylsulfanylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 114122906
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide
CID 94800013
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 114546434
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide (CID 60850780) is N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide is CC1CCCC(NC(=O)CCCNC(C)C)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is UODHGYYEMZVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-9-5-8-14(17)16-13-7-4-6-12(3)10-13/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide?
N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).