(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol

C14H22N2O — CID 103938697

IUPAC(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)CC2CCC2)cn1
InChIInChI=1S/C14H22N2O/c1-3-14(17)13-8-7-12(9-15-13)16(2)10-11-5-4-6-11/h7-9,11,14,17H,3-6,10H2,1-2H3/t14-/m0/s1
InChIKeyJOCOIQJPGHBHQN-AWEZNQCLSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds5

About (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938697) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938697
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)CC2CCC2)cn1
InChIInChI=1S/C14H22N2O/c1-3-14(17)13-8-7-12(9-15-13)16(2)10-11-5-4-6-11/h7-9,11,14,17H,3-6,10H2,1-2H3/t14-/m0/s1
InChIKeyJOCOIQJPGHBHQN-AWEZNQCLSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 112585464
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938475
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
(1R)-1-[5-[cyclopropylmethyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355380
6-[(1R)-1-aminopropyl]-N-(cyclopropylmethyl)-N-methylpyridin-3-amine
CID 103937043
6-(1-aminoethyl)-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 83127943
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol (CID 103938697) is (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(C)CC2CCC2)cn1.
What is the InChIKey of (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is JOCOIQJPGHBHQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-14(17)13-8-7-12(9-15-13)16(2)10-11-5-4-6-11/h7-9,11,14,17H,3-6,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).