(3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine

C12H22N4 — CID 174341680

IUPAC(3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine
SMILESC=CN/C(C)=C(\N)C(=C)N/C(N)=C/CCC
InChIInChI=1S/C12H22N4/c1-5-7-8-11(13)16-10(4)12(14)9(3)15-6-2/h6,8,15-16H,2,4-5,7,13-14H2,1,3H3/b11-8+,12-9-
InChIKeyOXKGIQHILQSUMH-OJOCYUAFSA-N
MW222.34 g/mol
LogP1.61
Rot. Bonds7

About (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine

(3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine (PubChem CID 174341680) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine.

Molecular Properties

Compound Name(3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine
PubChem CID174341680
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine
SMILESC=CN/C(C)=C(\N)C(=C)N/C(N)=C/CCC
InChIInChI=1S/C12H22N4/c1-5-7-8-11(13)16-10(4)12(14)9(3)15-6-2/h6,8,15-16H,2,4-5,7,13-14H2,1,3H3/b11-8+,12-9-
InChIKeyOXKGIQHILQSUMH-OJOCYUAFSA-N
XLogP1.61
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine?
The IUPAC name of (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine (CID 174341680) is (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine.
What is the SMILES notation for (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine?
The canonical SMILES for (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine is C=CN/C(C)=C(\N)C(=C)N/C(N)=C/CCC.
What is the InChIKey of (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine?
The InChIKey is OXKGIQHILQSUMH-OJOCYUAFSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-7-8-11(13)16-10(4)12(14)9(3)15-6-2/h6,8,15-16H,2,4-5,7,13-14H2,1,3H3/b11-8+,12-9-.
What are the key properties of (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine?
(3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine has a molecular weight of 222.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-[(E)-1-aminopent-1-enyl]-4-N-ethenylpenta-1,3-diene-2,3,4-triamine is sourced from PubChem (CID 174341680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).