1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol

C12H16N2O — CID 172512803

IUPAC1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol
SMILESNc1ncc(C2CC2)cc1C1(O)CCC1
InChIInChI=1S/C12H16N2O/c13-11-10(12(15)4-1-5-12)6-9(7-14-11)8-2-3-8/h6-8,15H,1-5H2,(H2,13,14)
InChIKeyFVWVCGIWBSILAG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol

1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol (PubChem CID 172512803) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol
PubChem CID172512803
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol
SMILESNc1ncc(C2CC2)cc1C1(O)CCC1
InChIInChI=1S/C12H16N2O/c13-11-10(12(15)4-1-5-12)6-9(7-14-11)8-2-3-8/h6-8,15H,1-5H2,(H2,13,14)
InChIKeyFVWVCGIWBSILAG-UHFFFAOYSA-N
XLogP1.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol
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1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol
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1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol (CID 172512803) is 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol is Nc1ncc(C2CC2)cc1C1(O)CCC1.
What is the InChIKey of 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol?
The InChIKey is FVWVCGIWBSILAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-10(12(15)4-1-5-12)6-9(7-14-11)8-2-3-8/h6-8,15H,1-5H2,(H2,13,14).
What are the key properties of 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol?
1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-cyclopropyl-3-pyridinyl)cyclobutan-1-ol is sourced from PubChem (CID 172512803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).