4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine

C21H33N3 — CID 146478036

IUPAC4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
SMILESC=CN(C)C1C=CC(N(CC)CCNC2=CCC(CC)C=C2)=CC1
InChIInChI=1S/C21H33N3/c1-5-18-8-10-19(11-9-18)22-16-17-24(7-3)21-14-12-20(13-15-21)23(4)6-2/h6,8,10-12,14-15,18,20,22H,2,5,7,9,13,16-17H2,1,3-4H3
InChIKeyGOBYSQOSLUTRJF-UHFFFAOYSA-N
MW327.52 g/mol
LogP4.06
Rot. Bonds9

About 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine

4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 146478036) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
PubChem CID146478036
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
SMILESC=CN(C)C1C=CC(N(CC)CCNC2=CCC(CC)C=C2)=CC1
InChIInChI=1S/C21H33N3/c1-5-18-8-10-19(11-9-18)22-16-17-24(7-3)21-14-12-20(13-15-21)23(4)6-2/h6,8,10-12,14-15,18,20,22H,2,5,7,9,13,16-17H2,1,3-4H3
InChIKeyGOBYSQOSLUTRJF-UHFFFAOYSA-N
XLogP4.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine (CID 146478036) is 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine is C=CN(C)C1C=CC(N(CC)CCNC2=CCC(CC)C=C2)=CC1.
What is the InChIKey of 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is GOBYSQOSLUTRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-5-18-8-10-19(11-9-18)22-16-17-24(7-3)21-14-12-20(13-15-21)23(4)6-2/h6,8,10-12,14-15,18,20,22H,2,5,7,9,13,16-17H2,1,3-4H3.
What are the key properties of 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 327.52 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-1-N-ethyl-1-N-[2-[(4-ethylcyclohexa-1,5-dien-1-yl)amino]ethyl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 146478036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).