(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine

C13H18N4 — CID 89259985

IUPAC(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine
SMILESC=c1c(N)ccn/c1=C/C=C/C(=C/N)C(C)N
InChIInChI=1S/C13H18N4/c1-9-12(16)6-7-17-13(9)5-3-4-11(8-14)10(2)15/h3-8,10H,1,14-16H2,2H3/b4-3+,11-8-,13-5+
InChIKeySEADXFNGYBUJSS-JSLGJFHYSA-N
MW230.31 g/mol
LogP-0.40
Rot. Bonds3

About (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine

(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine (PubChem CID 89259985) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine
PubChem CID89259985
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine
SMILESC=c1c(N)ccn/c1=C/C=C/C(=C/N)C(C)N
InChIInChI=1S/C13H18N4/c1-9-12(16)6-7-17-13(9)5-3-4-11(8-14)10(2)15/h3-8,10H,1,14-16H2,2H3/b4-3+,11-8-,13-5+
InChIKeySEADXFNGYBUJSS-JSLGJFHYSA-N
XLogP-0.40
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine (CID 89259985) is (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine is C=c1c(N)ccn/c1=C/C=C/C(=C/N)C(C)N.
What is the InChIKey of (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine?
The InChIKey is SEADXFNGYBUJSS-JSLGJFHYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-12(16)6-7-17-13(9)5-3-4-11(8-14)10(2)15/h3-8,10H,1,14-16H2,2H3/b4-3+,11-8-,13-5+.
What are the key properties of (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine?
(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine has a molecular weight of 230.31 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine is sourced from PubChem (CID 89259985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).