N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide

C15H28N2O — CID 79032428

IUPACN-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
SMILESCC1(C)CCC(NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2)9-7-12(8-10-15)16-11-3-4-14(18)17-13-5-6-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyYQYUKAFDLDTCHJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.60
Rot. Bonds6

About N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide

N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide (PubChem CID 79032428) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
PubChem CID79032428
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
SMILESCC1(C)CCC(NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2)9-7-12(8-10-15)16-11-3-4-14(18)17-13-5-6-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyYQYUKAFDLDTCHJ-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.60
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

N-cyclopropyl-2-[(4,4-dimethylcycloheptyl)amino]acetamide
CID 65084569
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 114546434
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N-(3,3-dimethylcyclopentyl)-5-hydroxypentanamide
CID 114541453
3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
CID 65083464
N,N'-dicyclopropyldecanediamide
CID 4668836
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
CID 79393847
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide (CID 79032428) is N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide is CC1(C)CCC(NCCCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide?
The InChIKey is YQYUKAFDLDTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)9-7-12(8-10-15)16-11-3-4-14(18)17-13-5-6-13/h12-13,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide?
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide has a molecular weight of 252.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide is sourced from PubChem (CID 79032428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).