(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine

C14H23N3 — CID 88993601

IUPAC(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
SMILESNC/C=C\C=C\CNCC1=CCC(CN)C=C1
InChIInChI=1S/C14H23N3/c15-9-3-1-2-4-10-17-12-14-7-5-13(11-16)6-8-14/h1-5,7-8,13,17H,6,9-12,15-16H2/b3-1-,4-2+
InChIKeyIPPRBTLNMHQKSP-HSFFGMMNSA-N
MW233.36 g/mol
LogP1.11
Rot. Bonds7

About (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine

(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine (PubChem CID 88993601) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound Name(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
PubChem CID88993601
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
SMILESNC/C=C\C=C\CNCC1=CCC(CN)C=C1
InChIInChI=1S/C14H23N3/c15-9-3-1-2-4-10-17-12-14-7-5-13(11-16)6-8-14/h1-5,7-8,13,17H,6,9-12,15-16H2/b3-1-,4-2+
InChIKeyIPPRBTLNMHQKSP-HSFFGMMNSA-N
XLogP1.11
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
The IUPAC name of (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine (CID 88993601) is (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine.
What is the SMILES notation for (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
The canonical SMILES for (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine is NC/C=C\C=C\CNCC1=CCC(CN)C=C1.
What is the InChIKey of (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
The InChIKey is IPPRBTLNMHQKSP-HSFFGMMNSA-N. The full InChI is InChI=1S/C14H23N3/c15-9-3-1-2-4-10-17-12-14-7-5-13(11-16)6-8-14/h1-5,7-8,13,17H,6,9-12,15-16H2/b3-1-,4-2+.
What are the key properties of (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine?
(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 88993601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).