(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine

C12H22N4 — CID 137247912

IUPAC(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine
SMILESCCCCC/N=C1\NC(C)=CC(N)\C1=C/N
InChIInChI=1S/C12H22N4/c1-3-4-5-6-15-12-10(8-13)11(14)7-9(2)16-12/h7-8,11H,3-6,13-14H2,1-2H3,(H,15,16)/b10-8+
InChIKeyUVPYVIBICOOYHI-CSKARUKUSA-N
MW222.34 g/mol
LogP1.25
Rot. Bonds4

About (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine

(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine (PubChem CID 137247912) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine
PubChem CID137247912
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine
SMILESCCCCC/N=C1\NC(C)=CC(N)\C1=C/N
InChIInChI=1S/C12H22N4/c1-3-4-5-6-15-12-10(8-13)11(14)7-9(2)16-12/h7-8,11H,3-6,13-14H2,1-2H3,(H,15,16)/b10-8+
InChIKeyUVPYVIBICOOYHI-CSKARUKUSA-N
XLogP1.25
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine?
The IUPAC name of (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine (CID 137247912) is (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine.
What is the SMILES notation for (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine?
The canonical SMILES for (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine is CCCCC/N=C1\NC(C)=CC(N)\C1=C/N.
What is the InChIKey of (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine?
The InChIKey is UVPYVIBICOOYHI-CSKARUKUSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-4-5-6-15-12-10(8-13)11(14)7-9(2)16-12/h7-8,11H,3-6,13-14H2,1-2H3,(H,15,16)/b10-8+.
What are the key properties of (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine?
(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine is sourced from PubChem (CID 137247912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).