(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine

C5H13N5 — CID 163489204

IUPAC(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine
SMILESN/C=C(N)\C(N)=C(/N)CN
InChIInChI=1S/C5H13N5/c6-1-3(8)5(10)4(9)2-7/h1H,2,6-10H2/b3-1+,5-4+
InChIKeyCLCSUHKUDLEQAQ-QDDGPSEESA-N
MW143.19 g/mol
LogP-2.17
Rot. Bonds2

About (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine

(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine (PubChem CID 163489204) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine.

Molecular Properties

Compound Name(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine
PubChem CID163489204
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC Name(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine
SMILESN/C=C(N)\C(N)=C(/N)CN
InChIInChI=1S/C5H13N5/c6-1-3(8)5(10)4(9)2-7/h1H,2,6-10H2/b3-1+,5-4+
InChIKeyCLCSUHKUDLEQAQ-QDDGPSEESA-N
XLogP-2.17
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine
CID 137384148
CID 154690142
CID 154690142
3-amino-2-(aminomethyl)prop-2-enenitrile
CID 140565404
(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine
CID 164593356
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
(E)-1-fluoroethene-1,2-diamine
CID 174009948
aminomethanol;dihydrate
CID 173179339
4-amino-3-(aminomethyl)but-3-enoic acid
CID 173281825
2-aminoacetamide;methane
CID 174826964
2-aminoacetamide;dihydrobromide
CID 20567050
2-(15N)azanylacetamide;hydrochloride
CID 131708744
(Z)-4-aminobut-2-ene-2-thiol
CID 143658490

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine?
The IUPAC name of (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine (CID 163489204) is (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine.
What is the SMILES notation for (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine?
The canonical SMILES for (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine is N/C=C(N)\C(N)=C(/N)CN.
What is the InChIKey of (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine?
The InChIKey is CLCSUHKUDLEQAQ-QDDGPSEESA-N. The full InChI is InChI=1S/C5H13N5/c6-1-3(8)5(10)4(9)2-7/h1H,2,6-10H2/b3-1+,5-4+.
What are the key properties of (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine?
(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine has a molecular weight of 143.19 g/mol, XLogP of -2.17, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine is sourced from PubChem (CID 163489204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).