(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine

C25H35N5 — CID 89085359

IUPAC(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine
SMILESC=C/C=c1/cc(C2C=CC(N/C=C\CNC)=CC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C25H35N5/c1-3-5-20-16-21(19-6-8-22(9-7-19)29-13-4-12-27-2)17-25(24(20)18-26)30-23-10-14-28-15-11-23/h3-6,8-9,13,16-19,23,27-30H,1,7,10-12,14-15,26H2,2H3/b13-4-,20-5-,24-18+
InChIKeyFZQVYHYCUVYSQO-SPRYTKFLSA-N
MW405.59 g/mol
LogP1.76
Rot. Bonds8

About (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine

(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine (PubChem CID 89085359) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine
PubChem CID89085359
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC Name(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine
SMILESC=C/C=c1/cc(C2C=CC(N/C=C\CNC)=CC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C25H35N5/c1-3-5-20-16-21(19-6-8-22(9-7-19)29-13-4-12-27-2)17-25(24(20)18-26)30-23-10-14-28-15-11-23/h3-6,8-9,13,16-19,23,27-30H,1,7,10-12,14-15,26H2,2H3/b13-4-,20-5-,24-18+
InChIKeyFZQVYHYCUVYSQO-SPRYTKFLSA-N
XLogP1.76
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine (CID 89085359) is (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine is C=C/C=c1/cc(C2C=CC(N/C=C\CNC)=CC2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine?
The InChIKey is FZQVYHYCUVYSQO-SPRYTKFLSA-N. The full InChI is InChI=1S/C25H35N5/c1-3-5-20-16-21(19-6-8-22(9-7-19)29-13-4-12-27-2)17-25(24(20)18-26)30-23-10-14-28-15-11-23/h3-6,8-9,13,16-19,23,27-30H,1,7,10-12,14-15,26H2,2H3/b13-4-,20-5-,24-18+.
What are the key properties of (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine?
(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine has a molecular weight of 405.59 g/mol, XLogP of 1.76, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 89085359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).