3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine

C15H25N3 — CID 104535082

IUPAC3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC2CCCCCC2C)c1
InChIInChI=1S/C15H25N3/c1-3-17-13-9-14(11-16-10-13)18-15-8-6-4-5-7-12(15)2/h9-12,15,17-18H,3-8H2,1-2H3
InChIKeyVKDOLIJYEZCNLO-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.89
Rot. Bonds4

About 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine (PubChem CID 104535082) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
PubChem CID104535082
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC2CCCCCC2C)c1
InChIInChI=1S/C15H25N3/c1-3-17-13-9-14(11-16-10-13)18-15-8-6-4-5-7-12(15)2/h9-12,15,17-18H,3-8H2,1-2H3
InChIKeyVKDOLIJYEZCNLO-UHFFFAOYSA-N
XLogP3.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
CID 104535085
6-N-ethyl-2-N-(2-methylcyclohexyl)pyrazine-2,6-diamine
CID 78917909
5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine
CID 104534251
5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533440
5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine
CID 113424089
N-(2-methylcyclopentyl)pyrimidin-5-amine
CID 107587748
3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine
CID 104533446
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
5-fluoro-N-(2-methylcyclobutyl)pyridin-3-amine
CID 130554519
3-N-ethyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3,5-diamine
CID 113424144
3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine
CID 113480725

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine (CID 104535082) is 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine is CCNc1cncc(NC2CCCCCC2C)c1.
What is the InChIKey of 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
The InChIKey is VKDOLIJYEZCNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-17-13-9-14(11-16-10-13)18-15-8-6-4-5-7-12(15)2/h9-12,15,17-18H,3-8H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine is sourced from PubChem (CID 104535082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).