5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine

C12H18BrN3 — CID 107397165

IUPAC5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
SMILESCCN(CC1CCC1)c1ncc(Br)cc1N
InChIInChI=1S/C12H18BrN3/c1-2-16(8-9-4-3-5-9)12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8,14H2,1H3
InChIKeyFUXIDKCDNOZQDU-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine

5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine (PubChem CID 107397165) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
PubChem CID107397165
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
SMILESCCN(CC1CCC1)c1ncc(Br)cc1N
InChIInChI=1S/C12H18BrN3/c1-2-16(8-9-4-3-5-9)12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8,14H2,1H3
InChIKeyFUXIDKCDNOZQDU-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
5-bromo-2-N-cyclopropyl-2-N-ethylpyridine-2,3-diamine
CID 61228482
5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674
5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 79478026
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine (CID 107397165) is 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine is CCN(CC1CCC1)c1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine?
The InChIKey is FUXIDKCDNOZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-16(8-9-4-3-5-9)12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8,14H2,1H3.
What are the key properties of 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine?
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine has a molecular weight of 284.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine is sourced from PubChem (CID 107397165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).