5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine

C14H22BrN3 — CID 103518318

IUPAC5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine
SMILESCC(C)CN(c1c(N)cncc1Br)C1CCCC1
InChIInChI=1S/C14H22BrN3/c1-10(2)9-18(11-5-3-4-6-11)14-12(15)7-17-8-13(14)16/h7-8,10-11H,3-6,9,16H2,1-2H3
InChIKeyJYPAVEISOXDKFB-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine

5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine (PubChem CID 103518318) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine
PubChem CID103518318
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine
SMILESCC(C)CN(c1c(N)cncc1Br)C1CCCC1
InChIInChI=1S/C14H22BrN3/c1-10(2)9-18(11-5-3-4-6-11)14-12(15)7-17-8-13(14)16/h7-8,10-11H,3-6,9,16H2,1-2H3
InChIKeyJYPAVEISOXDKFB-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine
CID 103517833
2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 113333796
2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
CID 113387676
5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine
CID 103553299
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535325
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037
6-(aminomethyl)-N-cyclopentyl-N-(2-methylpropyl)pyridin-3-amine
CID 113320429
5-amino-6-[cyclopentyl(2-methylpropyl)amino]pyridine-2-carboxamide
CID 114407077
4-(aminomethyl)-N-cyclopentyl-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 107542143
4-N-cyclopentyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80854611
ethyl (3R)-3-[5-amino-6-[cyclohexyl(2-methylpropyl)amino]-3-pyridinyl]butanoate
CID 142383706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine (CID 103518318) is 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine is CC(C)CN(c1c(N)cncc1Br)C1CCCC1.
What is the InChIKey of 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine?
The InChIKey is JYPAVEISOXDKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-10(2)9-18(11-5-3-4-6-11)14-12(15)7-17-8-13(14)16/h7-8,10-11H,3-6,9,16H2,1-2H3.
What are the key properties of 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine?
5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine has a molecular weight of 312.26 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine is sourced from PubChem (CID 103518318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).