4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol

C14H29NO2 — CID 64804659

IUPAC4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol
SMILESCC1CCC(OCCC(CO)NC(C)C)CC1
InChIInChI=1S/C14H29NO2/c1-11(2)15-13(10-16)8-9-17-14-6-4-12(3)5-7-14/h11-16H,4-10H2,1-3H3
InChIKeyALFAIBUGQXFDMI-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds7

About 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol

4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64804659) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol
PubChem CID64804659
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol
SMILESCC1CCC(OCCC(CO)NC(C)C)CC1
InChIInChI=1S/C14H29NO2/c1-11(2)15-13(10-16)8-9-17-14-6-4-12(3)5-7-14/h11-16H,4-10H2,1-3H3
InChIKeyALFAIBUGQXFDMI-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol (CID 64804659) is 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol is CC1CCC(OCCC(CO)NC(C)C)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is ALFAIBUGQXFDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)15-13(10-16)8-9-17-14-6-4-12(3)5-7-14/h11-16H,4-10H2,1-3H3.
What are the key properties of 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol?
4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64804659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).