2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol

C14H29NO — CID 66178990

IUPAC2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCCC1C
InChIInChI=1S/C14H29NO/c1-11(2)9-14(4,16)10-15-13-8-6-5-7-12(13)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyPNEFXTHWZUOZTN-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol

2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol (PubChem CID 66178990) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
PubChem CID66178990
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCCC1C
InChIInChI=1S/C14H29NO/c1-11(2)9-14(4,16)10-15-13-8-6-5-7-12(13)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyPNEFXTHWZUOZTN-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol (CID 66178990) is 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CCCCC1C.
What is the InChIKey of 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
The InChIKey is PNEFXTHWZUOZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)9-14(4,16)10-15-13-8-6-5-7-12(13)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 66178990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).