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

C26H37N5 — CID 89085391

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2C=C(CN3CCNCC3)C=CC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C26H37N5/c1-2-4-22-16-23(17-26(25(22)18-27)30-24-7-9-28-10-8-24)21-6-3-5-20(15-21)19-31-13-11-29-12-14-31/h2-5,15-18,21,24,28-30H,1,6-14,19,27H2/b22-4-,25-18+
InChIKeyPQRFFIOMKRJNGB-QQHQABSASA-N
MW419.62 g/mol
LogP1.39
Rot. Bonds6

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

N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085391) has the molecular formula C26H37N5 and a molecular weight of 419.62 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085391
Molecular FormulaC26H37N5
Molecular Weight419.62 g/mol
Exact Mass419.30
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2C=C(CN3CCNCC3)C=CC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C26H37N5/c1-2-4-22-16-23(17-26(25(22)18-27)30-24-7-9-28-10-8-24)21-6-3-5-20(15-21)19-31-13-11-29-12-14-31/h2-5,15-18,21,24,28-30H,1,6-14,19,27H2/b22-4-,25-18+
InChIKeyPQRFFIOMKRJNGB-QQHQABSASA-N
XLogP1.39
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085391) is N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-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-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2C=C(CN3CCNCC3)C=CC2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is PQRFFIOMKRJNGB-QQHQABSASA-N. The full InChI is InChI=1S/C26H37N5/c1-2-4-22-16-23(17-26(25(22)18-27)30-24-7-9-28-10-8-24)21-6-3-5-20(15-21)19-31-13-11-29-12-14-31/h2-5,15-18,21,24,28-30H,1,6-14,19,27H2/b22-4-,25-18+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 419.62 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).