(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol

C18H30N2O — CID 103938891

IUPAC(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(CCC(C)C)C2CCCC2)cn1
InChIInChI=1S/C18H30N2O/c1-4-18(21)17-10-9-16(13-19-17)20(12-11-14(2)3)15-7-5-6-8-15/h9-10,13-15,18,21H,4-8,11-12H2,1-3H3/t18-/m1/s1
InChIKeyLCCMQSDMWAHFJQ-GOSISDBHSA-N
MW290.45 g/mol
LogP4.32
Rot. Bonds7

About (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938891) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938891
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(CCC(C)C)C2CCCC2)cn1
InChIInChI=1S/C18H30N2O/c1-4-18(21)17-10-9-16(13-19-17)20(12-11-14(2)3)15-7-5-6-8-15/h9-10,13-15,18,21H,4-8,11-12H2,1-3H3/t18-/m1/s1
InChIKeyLCCMQSDMWAHFJQ-GOSISDBHSA-N
XLogP4.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(3-methylbutyl)pyridin-3-amine
CID 115939457
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
CID 103938579
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
6-(1-aminopropyl)-N-cyclopentyl-N-ethylpyridin-3-amine
CID 112584188
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938697
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol (CID 103938891) is (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N(CCC(C)C)C2CCCC2)cn1.
What is the InChIKey of (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is LCCMQSDMWAHFJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-18(21)17-10-9-16(13-19-17)20(12-11-14(2)3)15-7-5-6-8-15/h9-10,13-15,18,21H,4-8,11-12H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).