3-methyl-2-[(4-propylcyclohexyl)amino]butanamide

C14H28N2O — CID 113233122

IUPAC3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
SMILESCCCC1CCC(NC(C(N)=O)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-5-11-6-8-12(9-7-11)16-13(10(2)3)14(15)17/h10-13,16H,4-9H2,1-3H3,(H2,15,17)
InChIKeyFCQUBIRJTWXUHX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds6

About 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide

3-methyl-2-[(4-propylcyclohexyl)amino]butanamide (PubChem CID 113233122) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
PubChem CID113233122
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
SMILESCCCC1CCC(NC(C(N)=O)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-5-11-6-8-12(9-7-11)16-13(10(2)3)14(15)17/h10-13,16H,4-9H2,1-3H3,(H2,15,17)
InChIKeyFCQUBIRJTWXUHX-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63456173
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
CID 65060463
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
CID 106344140
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
3-methyl-2-[[(4-propylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 65221396
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
2-(cyclopropylamino)-3-methylpentanoic acid
CID 61319137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide (CID 113233122) is 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide is CCCC1CCC(NC(C(N)=O)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide?
The InChIKey is FCQUBIRJTWXUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-11-6-8-12(9-7-11)16-13(10(2)3)14(15)17/h10-13,16H,4-9H2,1-3H3,(H2,15,17).
What are the key properties of 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide?
3-methyl-2-[(4-propylcyclohexyl)amino]butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propylcyclohexyl)amino]butanamide is sourced from PubChem (CID 113233122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).