6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine

C13H24N4 — CID 114139240

IUPAC6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCCN(C)C(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)17(4)9-5-8-15-13-12(14)7-6-11(3)16-13/h6-7,10H,5,8-9,14H2,1-4H3,(H,15,16)
InChIKeyZOVOAHKWEVWFCB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds6

About 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine

6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine (PubChem CID 114139240) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine
PubChem CID114139240
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCCN(C)C(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)17(4)9-5-8-15-13-12(14)7-6-11(3)16-13/h6-7,10H,5,8-9,14H2,1-4H3,(H,15,16)
InChIKeyZOVOAHKWEVWFCB-UHFFFAOYSA-N
XLogP2.11
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine (CID 114139240) is 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCCCN(C)C(C)C)n1.
What is the InChIKey of 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine?
The InChIKey is ZOVOAHKWEVWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)17(4)9-5-8-15-13-12(14)7-6-11(3)16-13/h6-7,10H,5,8-9,14H2,1-4H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine?
6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine is sourced from PubChem (CID 114139240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).