4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide

C14H28N2O2 — CID 113359635

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-16(2)13(18)7-6-10-15-11-14(12-17)8-4-3-5-9-14/h15,17H,3-12H2,1-2H3
InChIKeyKNWFITMLVLMOJQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds7

About 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide (PubChem CID 113359635) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
PubChem CID113359635
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-16(2)13(18)7-6-10-15-11-14(12-17)8-4-3-5-9-14/h15,17H,3-12H2,1-2H3
InChIKeyKNWFITMLVLMOJQ-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
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

4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
CID 114125198
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide (CID 113359635) is 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNCC1(CO)CCCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide?
The InChIKey is KNWFITMLVLMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-16(2)13(18)7-6-10-15-11-14(12-17)8-4-3-5-9-14/h15,17H,3-12H2,1-2H3.
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide?
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 113359635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).