4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine

C15H25N3 — CID 113367730

IUPAC4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NC2(C)CCCCC2)ccn1
InChIInChI=1S/C15H25N3/c1-3-10-16-14-12-13(7-11-17-14)18-15(2)8-5-4-6-9-15/h7,11-12H,3-6,8-10H2,1-2H3,(H2,16,17,18)
InChIKeyBMYATGUGPCRFEC-UHFFFAOYSA-N
MW247.39 g/mol
LogP4.04
Rot. Bonds5

About 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine

4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 113367730) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine
PubChem CID113367730
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NC2(C)CCCCC2)ccn1
InChIInChI=1S/C15H25N3/c1-3-10-16-14-12-13(7-11-17-14)18-15(2)8-5-4-6-9-15/h7,11-12H,3-6,8-10H2,1-2H3,(H2,16,17,18)
InChIKeyBMYATGUGPCRFEC-UHFFFAOYSA-N
XLogP4.04
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine (CID 113367730) is 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(NC2(C)CCCCC2)ccn1.
What is the InChIKey of 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is BMYATGUGPCRFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-10-16-14-12-13(7-11-17-14)18-15(2)8-5-4-6-9-15/h7,11-12H,3-6,8-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine?
4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 113367730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).