2-[(3-methylcyclohexyl)-propylamino]ethanol

C12H25NO — CID 2846703

IUPAC2-[(3-methylcyclohexyl)-propylamino]ethanol
SMILESCCCN(CCO)C1CCCC(C)C1
InChIInChI=1S/C12H25NO/c1-3-7-13(8-9-14)12-6-4-5-11(2)10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyNBSZUZVRSOMROT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds5

About 2-[(3-methylcyclohexyl)-propylamino]ethanol

2-[(3-methylcyclohexyl)-propylamino]ethanol (PubChem CID 2846703) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)-propylamino]ethanol
PubChem CID2846703
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(3-methylcyclohexyl)-propylamino]ethanol
SMILESCCCN(CCO)C1CCCC(C)C1
InChIInChI=1S/C12H25NO/c1-3-7-13(8-9-14)12-6-4-5-11(2)10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyNBSZUZVRSOMROT-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)-propylamino]ethanol?
The IUPAC name of 2-[(3-methylcyclohexyl)-propylamino]ethanol (CID 2846703) is 2-[(3-methylcyclohexyl)-propylamino]ethanol.
What is the SMILES notation for 2-[(3-methylcyclohexyl)-propylamino]ethanol?
The canonical SMILES for 2-[(3-methylcyclohexyl)-propylamino]ethanol is CCCN(CCO)C1CCCC(C)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)-propylamino]ethanol?
The InChIKey is NBSZUZVRSOMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-7-13(8-9-14)12-6-4-5-11(2)10-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[(3-methylcyclohexyl)-propylamino]ethanol?
2-[(3-methylcyclohexyl)-propylamino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)-propylamino]ethanol is sourced from PubChem (CID 2846703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).