(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol

C17H28N2O — CID 103938894

IUPAC(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)C2CCC(C)(C)CC2)cn1
InChIInChI=1S/C17H28N2O/c1-5-16(20)15-7-6-14(12-18-15)19(4)13-8-10-17(2,3)11-9-13/h6-7,12-13,16,20H,5,8-11H2,1-4H3/t16-/m0/s1
InChIKeyLRBFHHJULNOSSL-INIZCTEOSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds4

About (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol (PubChem CID 103938894) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
PubChem CID103938894
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)C2CCC(C)(C)CC2)cn1
InChIInChI=1S/C17H28N2O/c1-5-16(20)15-7-6-14(12-18-15)19(4)13-8-10-17(2,3)11-9-13/h6-7,12-13,16,20H,5,8-11H2,1-4H3/t16-/m0/s1
InChIKeyLRBFHHJULNOSSL-INIZCTEOSA-N
XLogP3.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
CID 113355290
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938697
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 112585464

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol (CID 103938894) is (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(C)C2CCC(C)(C)CC2)cn1.
What is the InChIKey of (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol?
The InChIKey is LRBFHHJULNOSSL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-16(20)15-7-6-14(12-18-15)19(4)13-8-10-17(2,3)11-9-13/h6-7,12-13,16,20H,5,8-11H2,1-4H3/t16-/m0/s1.
What are the key properties of (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).