(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine

C18H25FN2 — CID 118616268

IUPAC(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine
SMILESCC1=C(N(/C=C/N)C2C=CC(C(C)(C)C)=CC2)C=C(F)C1
InChIInChI=1S/C18H25FN2/c1-13-11-15(19)12-17(13)21(10-9-20)16-7-5-14(6-8-16)18(2,3)4/h5-7,9-10,12,16H,8,11,20H2,1-4H3/b10-9+
InChIKeyCOKQSFMMXSCQKM-MDZDMXLPSA-N
MW288.41 g/mol
LogP4.55
Rot. Bonds3

About (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine

(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine (PubChem CID 118616268) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine
PubChem CID118616268
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine
SMILESCC1=C(N(/C=C/N)C2C=CC(C(C)(C)C)=CC2)C=C(F)C1
InChIInChI=1S/C18H25FN2/c1-13-11-15(19)12-17(13)21(10-9-20)16-7-5-14(6-8-16)18(2,3)4/h5-7,9-10,12,16H,8,11,20H2,1-4H3/b10-9+
InChIKeyCOKQSFMMXSCQKM-MDZDMXLPSA-N
XLogP4.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine?
The IUPAC name of (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine (CID 118616268) is (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine.
What is the SMILES notation for (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine?
The canonical SMILES for (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine is CC1=C(N(/C=C/N)C2C=CC(C(C)(C)C)=CC2)C=C(F)C1.
What is the InChIKey of (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine?
The InChIKey is COKQSFMMXSCQKM-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H25FN2/c1-13-11-15(19)12-17(13)21(10-9-20)16-7-5-14(6-8-16)18(2,3)4/h5-7,9-10,12,16H,8,11,20H2,1-4H3/b10-9+.
What are the key properties of (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine?
(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine has a molecular weight of 288.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine is sourced from PubChem (CID 118616268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).