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

C14H21N3 — CID 61308040

IUPAC3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CC2CCC1C2
InChIInChI=1S/C14H21N3/c1-17(2)14-12(4-3-7-15-14)16-13-9-10-5-6-11(13)8-10/h3-4,7,10-11,13,16H,5-6,8-9H2,1-2H3
InChIKeyHPTYSLPKLDFZDS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.75
Rot. Bonds3

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

3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 61308040) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID61308040
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CC2CCC1C2
InChIInChI=1S/C14H21N3/c1-17(2)14-12(4-3-7-15-14)16-13-9-10-5-6-11(13)8-10/h3-4,7,10-11,13,16H,5-6,8-9H2,1-2H3
InChIKeyHPTYSLPKLDFZDS-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 104540446
2-N,2-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 65044322
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine
CID 103275729
3-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64761023
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxypyridin-3-amine
CID 63454222
3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708005
1-(2-bicyclo[2.2.1]heptanyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076048
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64752142
3-N-(3,4-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64733175
3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708000

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine (CID 61308040) is 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NC1CC2CCC1C2.
What is the InChIKey of 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is HPTYSLPKLDFZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17(2)14-12(4-3-7-15-14)16-13-9-10-5-6-11(13)8-10/h3-4,7,10-11,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of 3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 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)-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 61308040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).