4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol

C14H29NO2 — CID 64803235

IUPAC4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOC1CCCCC1
InChIInChI=1S/C14H29NO2/c1-12(2)15-14(3,11-16)9-10-17-13-7-5-4-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyYMJWPGJDEHYYSG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.47
Rot. Bonds7

About 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64803235) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64803235
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOC1CCCCC1
InChIInChI=1S/C14H29NO2/c1-12(2)15-14(3,11-16)9-10-17-13-7-5-4-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyYMJWPGJDEHYYSG-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-methyl-2-(methylamino)-4-(oxan-4-yloxy)butan-1-ol
CID 64809766
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol
CID 64802731

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64803235) is 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCOC1CCCCC1.
What is the InChIKey of 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is YMJWPGJDEHYYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)15-14(3,11-16)9-10-17-13-7-5-4-6-8-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64803235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).