2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine

C14H23N3 — CID 83265339

IUPAC2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine
SMILESCc1cnc(N(CCC(C)C)C2CC2)cc1N
InChIInChI=1S/C14H23N3/c1-10(2)6-7-17(12-4-5-12)14-8-13(15)11(3)9-16-14/h8-10,12H,4-7H2,1-3H3,(H2,15,16)
InChIKeyHAVTZNGVWQFUGF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.99
Rot. Bonds5

About 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine

2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine (PubChem CID 83265339) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine
PubChem CID83265339
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine
SMILESCc1cnc(N(CCC(C)C)C2CC2)cc1N
InChIInChI=1S/C14H23N3/c1-10(2)6-7-17(12-4-5-12)14-8-13(15)11(3)9-16-14/h8-10,12H,4-7H2,1-3H3,(H2,15,16)
InChIKeyHAVTZNGVWQFUGF-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine (CID 83265339) is 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine is Cc1cnc(N(CCC(C)C)C2CC2)cc1N.
What is the InChIKey of 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine?
The InChIKey is HAVTZNGVWQFUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)6-7-17(12-4-5-12)14-8-13(15)11(3)9-16-14/h8-10,12H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine?
2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine is sourced from PubChem (CID 83265339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).