3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine

C14H22BrN3 — CID 79535447

IUPAC3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
SMILESCCC1CCC(CNc2ncc(N)cc2Br)CC1
InChIInChI=1S/C14H22BrN3/c1-2-10-3-5-11(6-4-10)8-17-14-13(15)7-12(16)9-18-14/h7,9-11H,2-6,8,16H2,1H3,(H,17,18)
InChIKeySQUHXFPZFHEXLN-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.05
Rot. Bonds4

About 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine

3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine (PubChem CID 79535447) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
PubChem CID79535447
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
SMILESCCC1CCC(CNc2ncc(N)cc2Br)CC1
InChIInChI=1S/C14H22BrN3/c1-2-10-3-5-11(6-4-10)8-17-14-13(15)7-12(16)9-18-14/h7,9-11H,2-6,8,16H2,1H3,(H,17,18)
InChIKeySQUHXFPZFHEXLN-UHFFFAOYSA-N
XLogP4.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
CID 106369705
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine (CID 79535447) is 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine is CCC1CCC(CNc2ncc(N)cc2Br)CC1.
What is the InChIKey of 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine?
The InChIKey is SQUHXFPZFHEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-2-10-3-5-11(6-4-10)8-17-14-13(15)7-12(16)9-18-14/h7,9-11H,2-6,8,16H2,1H3,(H,17,18).
What are the key properties of 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine?
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine has a molecular weight of 312.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 79535447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).