3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol

C16H26N2O — CID 84595291

IUPAC3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(CCO)C2CCCCC2)nc1
InChIInChI=1S/C16H26N2O/c1-13-7-8-15(17-11-13)12-18-16(9-10-19)14-5-3-2-4-6-14/h7-8,11,14,16,18-19H,2-6,9-10,12H2,1H3
InChIKeyAESUXGRMLICWKE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds6

About 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol

3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol (PubChem CID 84595291) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
PubChem CID84595291
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(CCO)C2CCCCC2)nc1
InChIInChI=1S/C16H26N2O/c1-13-7-8-15(17-11-13)12-18-16(9-10-19)14-5-3-2-4-6-14/h7-8,11,14,16,18-19H,2-6,9-10,12H2,1H3
InChIKeyAESUXGRMLICWKE-UHFFFAOYSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
The IUPAC name of 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol (CID 84595291) is 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol is Cc1ccc(CNC(CCO)C2CCCCC2)nc1.
What is the InChIKey of 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
The InChIKey is AESUXGRMLICWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-7-8-15(17-11-13)12-18-16(9-10-19)14-5-3-2-4-6-14/h7-8,11,14,16,18-19H,2-6,9-10,12H2,1H3.
What are the key properties of 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol is sourced from PubChem (CID 84595291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).