(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol

C12H20N2O — CID 103878434

IUPAC(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
SMILESCCCC(N[C@H](C)CO)c1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-6-12(14-10(2)9-15)11-7-4-5-8-13-11/h4-5,7-8,10,12,14-15H,3,6,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyXXYVYMRCZDZAGI-RWANSRKNSA-N
MW208.31 g/mol
LogP1.89
Rot. Bonds6

About (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol

(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol (PubChem CID 103878434) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
PubChem CID103878434
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
SMILESCCCC(N[C@H](C)CO)c1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-6-12(14-10(2)9-15)11-7-4-5-8-13-11/h4-5,7-8,10,12,14-15H,3,6,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyXXYVYMRCZDZAGI-RWANSRKNSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
CID 91082379
(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
CID 115890101
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
2-(1-fluorobutyl)pyridine
CID 66584665
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
3-(1-pyridin-3-ylbutylamino)butan-1-ol
CID 104582590
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
CID 79178919
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol?
The IUPAC name of (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol (CID 103878434) is (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol is CCCC(N[C@H](C)CO)c1ccccn1.
What is the InChIKey of (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol?
The InChIKey is XXYVYMRCZDZAGI-RWANSRKNSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-6-12(14-10(2)9-15)11-7-4-5-8-13-11/h4-5,7-8,10,12,14-15H,3,6,9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol?
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol is sourced from PubChem (CID 103878434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).