4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine

C15H25N3 — CID 79112114

IUPAC4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ccc(C)cn1)C1CCC(N)CC1
InChIInChI=1S/C15H25N3/c1-3-10-18(14-7-5-13(16)6-8-14)15-9-4-12(2)11-17-15/h4,9,11,13-14H,3,5-8,10,16H2,1-2H3
InChIKeyHVXWJAZHIPALIZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.88
Rot. Bonds4

About 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112114) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112114
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ccc(C)cn1)C1CCC(N)CC1
InChIInChI=1S/C15H25N3/c1-3-10-18(14-7-5-13(16)6-8-14)15-9-4-12(2)11-17-15/h4,9,11,13-14H,3,5-8,10,16H2,1-2H3
InChIKeyHVXWJAZHIPALIZ-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine (CID 79112114) is 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1ccc(C)cn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is HVXWJAZHIPALIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-10-18(14-7-5-13(16)6-8-14)15-9-4-12(2)11-17-15/h4,9,11,13-14H,3,5-8,10,16H2,1-2H3.
What are the key properties of 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).