(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine

C15H24N2 — CID 88993603

IUPAC(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
SMILESCCC1=CC[C@H](CNC/C=C/C=C\CN)C=C1
InChIInChI=1S/C15H24N2/c1-2-14-7-9-15(10-8-14)13-17-12-6-4-3-5-11-16/h3-9,15,17H,2,10-13,16H2,1H3/b5-3-,6-4+/t15-/m1/s1
InChIKeyWZEFJKNQWNQHEM-AXTPFNFHSA-N
MW232.37 g/mol
LogP2.56
Rot. Bonds7

About (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine

(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine (PubChem CID 88993603) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound Name(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
PubChem CID88993603
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
SMILESCCC1=CC[C@H](CNC/C=C/C=C\CN)C=C1
InChIInChI=1S/C15H24N2/c1-2-14-7-9-15(10-8-14)13-17-12-6-4-3-5-11-16/h3-9,15,17H,2,10-13,16H2,1H3/b5-3-,6-4+/t15-/m1/s1
InChIKeyWZEFJKNQWNQHEM-AXTPFNFHSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
The IUPAC name of (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine (CID 88993603) is (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine.
What is the SMILES notation for (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
The canonical SMILES for (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine is CCC1=CC[C@H](CNC/C=C/C=C\CN)C=C1.
What is the InChIKey of (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
The InChIKey is WZEFJKNQWNQHEM-AXTPFNFHSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-14-7-9-15(10-8-14)13-17-12-6-4-3-5-11-16/h3-9,15,17H,2,10-13,16H2,1H3/b5-3-,6-4+/t15-/m1/s1.
What are the key properties of (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 88993603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).