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

C24H33N5 — CID 89085355

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILES[H]/N=C/C1C=C(c2cc(NC3CCNCC3)c(=C/N)/c(=C\C=C)c2)C=CC1NCC
InChIInChI=1S/C24H33N5/c1-3-5-18-13-19(17-6-7-23(28-4-2)20(12-17)15-25)14-24(22(18)16-26)29-21-8-10-27-11-9-21/h3,5-7,12-16,20-21,23,25,27-29H,1,4,8-11,26H2,2H3/b18-5-,22-16+,25-15+
InChIKeyOIXCRKNLQSPKTA-DWFWAYGVSA-N
MW391.56 g/mol
LogP1.71
Rot. Bonds7

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

N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085355) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085355
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILES[H]/N=C/C1C=C(c2cc(NC3CCNCC3)c(=C/N)/c(=C\C=C)c2)C=CC1NCC
InChIInChI=1S/C24H33N5/c1-3-5-18-13-19(17-6-7-23(28-4-2)20(12-17)15-25)14-24(22(18)16-26)29-21-8-10-27-11-9-21/h3,5-7,12-16,20-21,23,25,27-29H,1,4,8-11,26H2,2H3/b18-5-,22-16+,25-15+
InChIKeyOIXCRKNLQSPKTA-DWFWAYGVSA-N
XLogP1.71
TPSA85.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 51.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-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-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085355) is N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-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-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-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-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is [H]/N=C/C1C=C(c2cc(NC3CCNCC3)c(=C/N)/c(=C\C=C)c2)C=CC1NCC.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is OIXCRKNLQSPKTA-DWFWAYGVSA-N. The full InChI is InChI=1S/C24H33N5/c1-3-5-18-13-19(17-6-7-23(28-4-2)20(12-17)15-25)14-24(22(18)16-26)29-21-8-10-27-11-9-21/h3,5-7,12-16,20-21,23,25,27-29H,1,4,8-11,26H2,2H3/b18-5-,22-16+,25-15+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 391.56 g/mol, XLogP of 1.71, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-[4-(ethylamino)-3-methanimidoylcyclohexa-1,5-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).