3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine

C13H21N3 — CID 104540064

IUPAC3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
SMILESCN(CC1CCCCC1)c1cccnc1N
InChIInChI=1S/C13H21N3/c1-16(10-11-6-3-2-4-7-11)12-8-5-9-15-13(12)14/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,14,15)
InChIKeyRODWNAOGXXVGCH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds3

About 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine

3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine (PubChem CID 104540064) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
PubChem CID104540064
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
SMILESCN(CC1CCCCC1)c1cccnc1N
InChIInChI=1S/C13H21N3/c1-16(10-11-6-3-2-4-7-11)12-8-5-9-15-13(12)14/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,14,15)
InChIKeyRODWNAOGXXVGCH-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclohexylmethyl)-N-methylpyridine-3-sulfonamide
CID 62151896
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
2-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide
CID 54948078
4-N-(cyclohexylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799110
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 97181424
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 65427611
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine?
The IUPAC name of 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine (CID 104540064) is 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine is CN(CC1CCCCC1)c1cccnc1N.
What is the InChIKey of 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine?
The InChIKey is RODWNAOGXXVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16(10-11-6-3-2-4-7-11)12-8-5-9-15-13(12)14/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,14,15).
What are the key properties of 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine?
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 104540064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).