N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

C23H34N4 — CID 89085326

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C(/C=C(\N)CC)=C/CC)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C23H34N4/c1-4-7-17(14-20(25)6-3)19-13-18(8-5-2)22(16-24)23(15-19)27-21-9-11-26-12-10-21/h5,7-8,13-16,21,26-27H,2,4,6,9-12,24-25H2,1,3H3/b17-7+,18-8-,20-14-,22-16+
InChIKeyZMWLSCXRAKBRKG-DKDWUYKBSA-N
MW366.55 g/mol
LogP2.56
Rot. Bonds7

About N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085326) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085326
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C(/C=C(\N)CC)=C/CC)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C23H34N4/c1-4-7-17(14-20(25)6-3)19-13-18(8-5-2)22(16-24)23(15-19)27-21-9-11-26-12-10-21/h5,7-8,13-16,21,26-27H,2,4,6,9-12,24-25H2,1,3H3/b17-7+,18-8-,20-14-,22-16+
InChIKeyZMWLSCXRAKBRKG-DKDWUYKBSA-N
XLogP2.56
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085326) is N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C(/C=C(\N)CC)=C/CC)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is ZMWLSCXRAKBRKG-DKDWUYKBSA-N. The full InChI is InChI=1S/C23H34N4/c1-4-7-17(14-20(25)6-3)19-13-18(8-5-2)22(16-24)23(15-19)27-21-9-11-26-12-10-21/h5,7-8,13-16,21,26-27H,2,4,6,9-12,24-25H2,1,3H3/b17-7+,18-8-,20-14-,22-16+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 366.55 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-[(3E,5Z)-6-aminoocta-3,5-dien-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).