5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine

C9H13N3 — CID 83635531

IUPAC5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCN(C)c1ccc(N)nc1
InChIInChI=1S/C9H13N3/c1-3-6-12(2)8-4-5-9(10)11-7-8/h3-5,7H,1,6H2,2H3,(H2,10,11)
InChIKeyBLJASDMIGWWIRE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.29
Rot. Bonds3

About 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine

5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine (PubChem CID 83635531) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine
PubChem CID83635531
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCN(C)c1ccc(N)nc1
InChIInChI=1S/C9H13N3/c1-3-6-12(2)8-4-5-9(10)11-7-8/h3-5,7H,1,6H2,2H3,(H2,10,11)
InChIKeyBLJASDMIGWWIRE-UHFFFAOYSA-N
XLogP1.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine
CID 146589382
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
5-N-butan-2-yl-5-N-methylpyridine-2,5-diamine
CID 43272602
2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid
CID 154385194
4-[methyl(prop-2-enyl)amino]benzaldehyde
CID 71347762
N-methyl-4-nitro-N-prop-2-enylaniline
CID 19702684
5-[amino(methylidenethallanyl)amino]pyridin-2-amine
CID 163465700
N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine?
The IUPAC name of 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine (CID 83635531) is 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine is C=CCN(C)c1ccc(N)nc1.
What is the InChIKey of 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine?
The InChIKey is BLJASDMIGWWIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-6-12(2)8-4-5-9(10)11-7-8/h3-5,7H,1,6H2,2H3,(H2,10,11).
What are the key properties of 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine?
5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine is sourced from PubChem (CID 83635531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).