(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine

C10H14N2 — CID 129305933

IUPAC(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine
SMILESC=C/C=C(\NC)NC1=CCC=C1
InChIInChI=1S/C10H14N2/c1-3-6-10(11-2)12-9-7-4-5-8-9/h3-4,6-8,11-12H,1,5H2,2H3/b10-6+
InChIKeyZTGIGSBETMYDNZ-UXBLZVDNSA-N
MW162.24 g/mol
LogP1.67
Rot. Bonds4

About (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine

(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine (PubChem CID 129305933) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine
PubChem CID129305933
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine
SMILESC=C/C=C(\NC)NC1=CCC=C1
InChIInChI=1S/C10H14N2/c1-3-6-10(11-2)12-9-7-4-5-8-9/h3-4,6-8,11-12H,1,5H2,2H3/b10-6+
InChIKeyZTGIGSBETMYDNZ-UXBLZVDNSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine?
The IUPAC name of (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine (CID 129305933) is (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine is C=C/C=C(\NC)NC1=CCC=C1.
What is the InChIKey of (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine?
The InChIKey is ZTGIGSBETMYDNZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-6-10(11-2)12-9-7-4-5-8-9/h3-4,6-8,11-12H,1,5H2,2H3/b10-6+.
What are the key properties of (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine?
(1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine has a molecular weight of 162.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-N'-cyclopenta-1,4-dien-1-yl-1-N-methylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 129305933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).