4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine

C12H19N3 — CID 107397217

IUPAC4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
SMILESCCN(CC1CCC1)c1ccncc1N
InChIInChI=1S/C12H19N3/c1-2-15(9-10-4-3-5-10)12-6-7-14-8-11(12)13/h6-8,10H,2-5,9,13H2,1H3
InChIKeyJEGAWKYIWLQCMT-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.29
Rot. Bonds4

About 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine

4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine (PubChem CID 107397217) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
PubChem CID107397217
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
SMILESCCN(CC1CCC1)c1ccncc1N
InChIInChI=1S/C12H19N3/c1-2-15(9-10-4-3-5-10)12-6-7-14-8-11(12)13/h6-8,10H,2-5,9,13H2,1H3
InChIKeyJEGAWKYIWLQCMT-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylpyridin-4-amine
CID 81247312
3-[cyclopropylmethyl(ethyl)amino]pyridine-4-carbothioamide
CID 114288566
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 107397091
6-N-(cyclobutylmethyl)-6-N-ethylpyridine-2,6-diamine
CID 107402993
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
CID 105073982
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
CID 107397189

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine (CID 107397217) is 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine is CCN(CC1CCC1)c1ccncc1N.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine?
The InChIKey is JEGAWKYIWLQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15(9-10-4-3-5-10)12-6-7-14-8-11(12)13/h6-8,10H,2-5,9,13H2,1H3.
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine?
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine is sourced from PubChem (CID 107397217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).