3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine

C15H25N3 — CID 64752142

IUPAC3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCC1CC(C)CC(Nc2cccnc2N(C)C)C1
InChIInChI=1S/C15H25N3/c1-11-8-12(2)10-13(9-11)17-14-6-5-7-16-15(14)18(3)4/h5-7,11-13,17H,8-10H2,1-4H3
InChIKeyBSPKKZSEAMNLFR-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.38
Rot. Bonds3

About 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 64752142) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID64752142
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCC1CC(C)CC(Nc2cccnc2N(C)C)C1
InChIInChI=1S/C15H25N3/c1-11-8-12(2)10-13(9-11)17-14-6-5-7-16-15(14)18(3)4/h5-7,11-13,17H,8-10H2,1-4H3
InChIKeyBSPKKZSEAMNLFR-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine (CID 64752142) is 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine is CC1CC(C)CC(Nc2cccnc2N(C)C)C1.
What is the InChIKey of 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is BSPKKZSEAMNLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-8-12(2)10-13(9-11)17-14-6-5-7-16-15(14)18(3)4/h5-7,11-13,17H,8-10H2,1-4H3.
What are the key properties of 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 64752142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).