4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide

C13H26N2O2 — CID 106133750

IUPAC4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c1-15(2)13(17)4-3-9-14-10-11-5-7-12(16)8-6-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyPPMWFIBHMAJANU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds6

About 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide

4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide (PubChem CID 106133750) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
PubChem CID106133750
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c1-15(2)13(17)4-3-9-14-10-11-5-7-12(16)8-6-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyPPMWFIBHMAJANU-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
CID 107412884
N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
CID 103883917
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
CID 106133697
N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
CID 80599931
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide (CID 106133750) is 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNCC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide?
The InChIKey is PPMWFIBHMAJANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)13(17)4-3-9-14-10-11-5-7-12(16)8-6-11/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide?
4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 106133750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).