5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol

C14H29NO — CID 86794772

IUPAC5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNC1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO/c1-10(7-13(4)16)9-15-14-6-5-11(2)12(3)8-14/h10-16H,5-9H2,1-4H3
InChIKeyIQXHOTIPBGZYRD-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.81
Rot. Bonds5

About 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol

5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol (PubChem CID 86794772) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol
PubChem CID86794772
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNC1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO/c1-10(7-13(4)16)9-15-14-6-5-11(2)12(3)8-14/h10-16H,5-9H2,1-4H3
InChIKeyIQXHOTIPBGZYRD-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol (CID 86794772) is 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol is CC(O)CC(C)CNC1CCC(C)C(C)C1.
What is the InChIKey of 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol?
The InChIKey is IQXHOTIPBGZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(7-13(4)16)9-15-14-6-5-11(2)12(3)8-14/h10-16H,5-9H2,1-4H3.
What are the key properties of 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol?
5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylcyclohexyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 86794772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).