3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol

C19H37NO — CID 106348908

IUPAC3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C19H37NO/c1-19(2,3)18(13-14-21)20-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h15-18,20-21H,4-14H2,1-3H3
InChIKeyXFEAEMLTDVOUAX-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.51
Rot. Bonds5

About 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol

3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106348908) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106348908
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C19H37NO/c1-19(2,3)18(13-14-21)20-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h15-18,20-21H,4-14H2,1-3H3
InChIKeyXFEAEMLTDVOUAX-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol
CID 104926034
2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
CID 65313032
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106349071
4,4-dimethyl-3-[(1-oxothian-4-yl)amino]pentan-1-ol
CID 106349010
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 106348971
2-cyclohexyl-N-(dicyclopropylmethyl)cyclohexan-1-amine
CID 43768530
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
CID 104663685
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol (CID 106348908) is 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NC1CCCCC1C1CCCCC1.
What is the InChIKey of 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is XFEAEMLTDVOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-19(2,3)18(13-14-21)20-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h15-18,20-21H,4-14H2,1-3H3.
What are the key properties of 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).