3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol

C15H24N2O — CID 133464606

IUPAC3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol
SMILESCc1cc(NC(CCO)C2CCCCC2)ccn1
InChIInChI=1S/C15H24N2O/c1-12-11-14(7-9-16-12)17-15(8-10-18)13-5-3-2-4-6-13/h7,9,11,13,15,18H,2-6,8,10H2,1H3,(H,16,17)
InChIKeyDJVMIOSJUNIORR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds5

About 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol

3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol (PubChem CID 133464606) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol
PubChem CID133464606
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol
SMILESCc1cc(NC(CCO)C2CCCCC2)ccn1
InChIInChI=1S/C15H24N2O/c1-12-11-14(7-9-16-12)17-15(8-10-18)13-5-3-2-4-6-13/h7,9,11,13,15,18H,2-6,8,10H2,1H3,(H,16,17)
InChIKeyDJVMIOSJUNIORR-UHFFFAOYSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol (CID 133464606) is 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol is Cc1cc(NC(CCO)C2CCCCC2)ccn1.
What is the InChIKey of 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol?
The InChIKey is DJVMIOSJUNIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-11-14(7-9-16-12)17-15(8-10-18)13-5-3-2-4-6-13/h7,9,11,13,15,18H,2-6,8,10H2,1H3,(H,16,17).
What are the key properties of 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol?
3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 133464606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).