2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine

C14H21N3 — CID 63684121

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
SMILESCN(CC1CC2CCC1C2)c1cc(N)ccn1
InChIInChI=1S/C14H21N3/c1-17(14-8-13(15)4-5-16-14)9-12-7-10-2-3-11(12)6-10/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,15,16)
InChIKeyLACTUDSKHHEMTP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.54
Rot. Bonds3

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine (PubChem CID 63684121) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
PubChem CID63684121
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
SMILESCN(CC1CC2CCC1C2)c1cc(N)ccn1
InChIInChI=1S/C14H21N3/c1-17(14-8-13(15)4-5-16-14)9-12-7-10-2-3-11(12)6-10/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,15,16)
InChIKeyLACTUDSKHHEMTP-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
CID 63686843
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80652293
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565084
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
CID 63962824
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63888471
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906760
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63682341
3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
CID 63687916
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833914

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine (CID 63684121) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine is CN(CC1CC2CCC1C2)c1cc(N)ccn1.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is LACTUDSKHHEMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17(14-8-13(15)4-5-16-14)9-12-7-10-2-3-11(12)6-10/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,15,16).
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 63684121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).