3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine

C12H17N3 — CID 104540446

IUPAC3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
SMILESNc1ncccc1NC1CC2CCC1C2
InChIInChI=1S/C12H17N3/c13-12-10(2-1-5-14-12)15-11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11,15H,3-4,6-7H2,(H2,13,14)
InChIKeyDCVCGNUMMGKLRW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.26
Rot. Bonds2

About 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine

3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine (PubChem CID 104540446) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
PubChem CID104540446
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
SMILESNc1ncccc1NC1CC2CCC1C2
InChIInChI=1S/C12H17N3/c13-12-10(2-1-5-14-12)15-11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11,15H,3-4,6-7H2,(H2,13,14)
InChIKeyDCVCGNUMMGKLRW-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 61308040
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxypyridin-3-amine
CID 63454222
3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine
CID 130791635
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 104540640
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 54329909
4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol
CID 130688470
N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
CID 113370946
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
CID 79839141

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine (CID 104540446) is 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine is Nc1ncccc1NC1CC2CCC1C2.
What is the InChIKey of 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
The InChIKey is DCVCGNUMMGKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-12-10(2-1-5-14-12)15-11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11,15H,3-4,6-7H2,(H2,13,14).
What are the key properties of 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine is sourced from PubChem (CID 104540446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).