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

C13H26N2O2 — CID 62522036

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)12(17)7-6-10-14-13(11-16)8-4-3-5-9-13/h14,16H,3-11H2,1-2H3
InChIKeyMRXOWWHXMHKVFU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds6

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

4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide (PubChem CID 62522036) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
PubChem CID62522036
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)12(17)7-6-10-14-13(11-16)8-4-3-5-9-13/h14,16H,3-11H2,1-2H3
InChIKeyMRXOWWHXMHKVFU-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
[1-(butylamino)cyclohexyl]methanol
CID 62520970
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
CID 115909619
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
[1-(3-fluoropropylamino)cyclohexyl]methanol
CID 81106456
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
[1-(2-ethoxyethylamino)cyclohexyl]methanol
CID 62521886
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
CID 114125198
4-(ethoxyamino)-N,N-dimethylbutanamide
CID 64974940

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide (CID 62522036) is 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNC1(CO)CCCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide?
The InChIKey is MRXOWWHXMHKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)12(17)7-6-10-14-13(11-16)8-4-3-5-9-13/h14,16H,3-11H2,1-2H3.
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide?
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 62522036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).