3-(2-amino-3-pyridinyl)cycloheptan-1-ol

C12H18N2O — CID 64513237

IUPAC3-(2-amino-3-pyridinyl)cycloheptan-1-ol
SMILESNc1ncccc1C1CCCCC(O)C1
InChIInChI=1S/C12H18N2O/c13-12-11(6-3-7-14-12)9-4-1-2-5-10(15)8-9/h3,6-7,9-10,15H,1-2,4-5,8H2,(H2,13,14)
InChIKeyKMCLRVLDHQQYGT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.07
Rot. Bonds1

About 3-(2-amino-3-pyridinyl)cycloheptan-1-ol

3-(2-amino-3-pyridinyl)cycloheptan-1-ol (PubChem CID 64513237) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2-amino-3-pyridinyl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(2-amino-3-pyridinyl)cycloheptan-1-ol
PubChem CID64513237
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(2-amino-3-pyridinyl)cycloheptan-1-ol
SMILESNc1ncccc1C1CCCCC(O)C1
InChIInChI=1S/C12H18N2O/c13-12-11(6-3-7-14-12)9-4-1-2-5-10(15)8-9/h3,6-7,9-10,15H,1-2,4-5,8H2,(H2,13,14)
InChIKeyKMCLRVLDHQQYGT-UHFFFAOYSA-N
XLogP2.07
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminocyclohexyl)pyridin-2-amine
CID 83261789
4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 142791265
3-quinolin-7-ylcycloheptan-1-ol
CID 81221392
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
3-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
CID 153387419
3-(4-aminopyrimidin-2-yl)cyclohexan-1-ol
CID 166653637
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine
CID 159139263
trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
CID 67133890
8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104540402
(3-cyclohexyl-2-pyridinyl)phosphane
CID 174737395
8-(3-bromocycloheptyl)quinoline
CID 81221251

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-pyridinyl)cycloheptan-1-ol?
The IUPAC name of 3-(2-amino-3-pyridinyl)cycloheptan-1-ol (CID 64513237) is 3-(2-amino-3-pyridinyl)cycloheptan-1-ol.
What is the SMILES notation for 3-(2-amino-3-pyridinyl)cycloheptan-1-ol?
The canonical SMILES for 3-(2-amino-3-pyridinyl)cycloheptan-1-ol is Nc1ncccc1C1CCCCC(O)C1.
What is the InChIKey of 3-(2-amino-3-pyridinyl)cycloheptan-1-ol?
The InChIKey is KMCLRVLDHQQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12-11(6-3-7-14-12)9-4-1-2-5-10(15)8-9/h3,6-7,9-10,15H,1-2,4-5,8H2,(H2,13,14).
What are the key properties of 3-(2-amino-3-pyridinyl)cycloheptan-1-ol?
3-(2-amino-3-pyridinyl)cycloheptan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-pyridinyl)cycloheptan-1-ol is sourced from PubChem (CID 64513237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).