(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine

C8H15N5 — CID 174013930

IUPAC(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine
SMILESC=CN/C=C(N)/C(N)=C(\N)NC=C
InChIInChI=1S/C8H15N5/c1-3-12-5-6(9)7(10)8(11)13-4-2/h3-5,12-13H,1-2,9-11H2/b6-5-,8-7-
InChIKeyPCPYHNINVZLDMS-ISTTXYCBSA-N
MW181.24 g/mol
LogP-0.66
Rot. Bonds5

About (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine

(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine (PubChem CID 174013930) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine
PubChem CID174013930
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine
SMILESC=CN/C=C(N)/C(N)=C(\N)NC=C
InChIInChI=1S/C8H15N5/c1-3-12-5-6(9)7(10)8(11)13-4-2/h3-5,12-13H,1-2,9-11H2/b6-5-,8-7-
InChIKeyPCPYHNINVZLDMS-ISTTXYCBSA-N
XLogP-0.66
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.66
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

(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine
CID 88944339
(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine
CID 89386289
(1E)-1-N-[(ethenylamino)methyl]-1-N-methylbuta-1,3-diene-1,2,3-triamine
CID 135208513
(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine
CID 163702806
N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide
CID 173478625
(1E)-1-N'-[(Z)-2-aminoethenyl]-1-N-prop-2-enylbuta-1,3-diene-1,1,2,3-tetramine
CID 173932449

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine?
The IUPAC name of (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine (CID 174013930) is (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine.
What is the SMILES notation for (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine?
The canonical SMILES for (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine is C=CN/C=C(N)/C(N)=C(\N)NC=C.
What is the InChIKey of (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine?
The InChIKey is PCPYHNINVZLDMS-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-12-5-6(9)7(10)8(11)13-4-2/h3-5,12-13H,1-2,9-11H2/b6-5-,8-7-.
What are the key properties of (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine?
(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine has a molecular weight of 181.24 g/mol, XLogP of -0.66, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine is sourced from PubChem (CID 174013930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).