(1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine

C11H21N3 — CID 89319837

IUPAC(1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine
SMILESC=C/C=C\C=C(/N)NC[C@@H](N)CCC
InChIInChI=1S/C11H21N3/c1-3-5-6-8-11(13)14-9-10(12)7-4-2/h3,5-6,8,10,14H,1,4,7,9,12-13H2,2H3/b6-5-,11-8+/t10-/m0/s1
InChIKeyPOSCCSFIRMWQCK-QOYGWLNVSA-N
MW195.31 g/mol
LogP1.25
Rot. Bonds7

About (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine

(1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine (PubChem CID 89319837) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine
PubChem CID89319837
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine
SMILESC=C/C=C\C=C(/N)NC[C@@H](N)CCC
InChIInChI=1S/C11H21N3/c1-3-5-6-8-11(13)14-9-10(12)7-4-2/h3,5-6,8,10,14H,1,4,7,9,12-13H2,2H3/b6-5-,11-8+/t10-/m0/s1
InChIKeyPOSCCSFIRMWQCK-QOYGWLNVSA-N
XLogP1.25
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine?
The IUPAC name of (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine (CID 89319837) is (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine.
What is the SMILES notation for (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine?
The canonical SMILES for (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine is C=C/C=C\C=C(/N)NC[C@@H](N)CCC.
What is the InChIKey of (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine?
The InChIKey is POSCCSFIRMWQCK-QOYGWLNVSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-8-11(13)14-9-10(12)7-4-2/h3,5-6,8,10,14H,1,4,7,9,12-13H2,2H3/b6-5-,11-8+/t10-/m0/s1.
What are the key properties of (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine?
(1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-[(2S)-2-aminopentyl]hexa-1,3,5-triene-1,1-diamine is sourced from PubChem (CID 89319837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).