1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol

C13H20N2O — CID 83150029

IUPAC1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
SMILESCC(C1CC1)C(O)C(CN)c1ccccn1
InChIInChI=1S/C13H20N2O/c1-9(10-5-6-10)13(16)11(8-14)12-4-2-3-7-15-12/h2-4,7,9-11,13,16H,5-6,8,14H2,1H3
InChIKeyBNWNSEQDJVCOFJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds5

About 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol

1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol (PubChem CID 83150029) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol.

Molecular Properties

Compound Name1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
PubChem CID83150029
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
SMILESCC(C1CC1)C(O)C(CN)c1ccccn1
InChIInChI=1S/C13H20N2O/c1-9(10-5-6-10)13(16)11(8-14)12-4-2-3-7-15-12/h2-4,7,9-11,13,16H,5-6,8,14H2,1H3
InChIKeyBNWNSEQDJVCOFJ-UHFFFAOYSA-N
XLogP1.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclopentyl-3-pyridin-2-ylbutan-2-ol
CID 80527107
1-amino-4-cyclopropyl-2-pyridin-3-ylpentan-3-ol
CID 83149883
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
CID 107185410
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
3-amino-1-(2,2-dimethylcyclopentyl)-2-pyridin-2-ylpropan-1-ol
CID 107185407
2-pyridin-2-yl-2-(thian-4-yl)ethanamine
CID 83822942
2-(1-cyclopropylpropyl)pyridine
CID 154455035
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
CID 83151816
2-pyridin-2-ylpropan-1-amine
CID 21481533
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol?
The IUPAC name of 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol (CID 83150029) is 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol.
What is the SMILES notation for 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol?
The canonical SMILES for 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol is CC(C1CC1)C(O)C(CN)c1ccccn1.
What is the InChIKey of 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol?
The InChIKey is BNWNSEQDJVCOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(10-5-6-10)13(16)11(8-14)12-4-2-3-7-15-12/h2-4,7,9-11,13,16H,5-6,8,14H2,1H3.
What are the key properties of 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol?
1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol is sourced from PubChem (CID 83150029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).