3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol

C15H31NO — CID 113438636

IUPAC3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-12(13-8-6-5-7-9-13)16-14(10-11-17)15(2,3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyCFGUQLGBWWJUOY-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds5

About 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol

3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 113438636) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
PubChem CID113438636
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-12(13-8-6-5-7-9-13)16-14(10-11-17)15(2,3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyCFGUQLGBWWJUOY-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 104925922
3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
CID 115724580
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 106348908
3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207
3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384379
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
2-(1-cyclopentylethylamino)-4,4-dimethylpentan-1-ol
CID 115895050
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol (CID 113438636) is 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol is CC(NC(CCO)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is CFGUQLGBWWJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(13-8-6-5-7-9-13)16-14(10-11-17)15(2,3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol?
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 113438636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).