4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide

C7H14IN3 — CID 143715837

IUPAC4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide
SMILESC=NC1C(C)=CC=NC1N.I.[H][H]
InChIInChI=1S/C7H11N3.HI.H2/c1-5-3-4-10-7(8)6(5)9-2;;/h3-4,6-7H,2,8H2,1H3;2*1H
InChIKeyHKCUVTBNGVNXEZ-UHFFFAOYSA-N
MW267.11 g/mol
LogP1.24
Rot. Bonds1

About 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide

4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide (PubChem CID 143715837) has the molecular formula C7H14IN3 and a molecular weight of 267.11 g/mol. Its IUPAC name is 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide.

Molecular Properties

Compound Name4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide
PubChem CID143715837
Molecular FormulaC7H14IN3
Molecular Weight267.11 g/mol
Exact Mass267.02
IUPAC Name4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide
SMILESC=NC1C(C)=CC=NC1N.I.[H][H]
InChIInChI=1S/C7H11N3.HI.H2/c1-5-3-4-10-7(8)6(5)9-2;;/h3-4,6-7H,2,8H2,1H3;2*1H
InChIKeyHKCUVTBNGVNXEZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2H-pyrrol-3-yl)ethanamine
CID 18519004
2,3-Dihydropyridin-3-amine
CID 57288527
(1R)-1-(2H-pyrrol-3-yl)ethanamine
CID 68876820
(1S)-1-(2H-pyrrol-3-yl)ethanamine
CID 68876822
2-Methyl-2,3-dihydropyridin-3-amine
CID 89039076
2,3-Dihydropyridin-4-ylmethanamine
CID 90137212
2,4-Dimethyl-2,5-dihydropyridin-5-amine
CID 90780022
5-(aminomethyl)-6-methyl-3H-pyridin-6-amine
CID 123737883
4-Methyl-2,3-dihydropyridin-2-amine
CID 124005381
(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine
CID 130298993
4-Methyl-2,5-dihydropyridin-2-amine
CID 141873492
(3-Amino-2,3-dihydropyridin-2-yl)-methylidyneazanium
CID 142972757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide?
The IUPAC name of 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide (CID 143715837) is 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide.
What is the SMILES notation for 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide?
The canonical SMILES for 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide is C=NC1C(C)=CC=NC1N.I.[H][H].
What is the InChIKey of 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide?
The InChIKey is HKCUVTBNGVNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.HI.H2/c1-5-3-4-10-7(8)6(5)9-2;;/h3-4,6-7H,2,8H2,1H3;2*1H.
What are the key properties of 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide?
4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide has a molecular weight of 267.11 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylideneamino)-2,3-dihydropyridin-2-amine;molecular hydrogen;hydroiodide is sourced from PubChem (CID 143715837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).