(Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine

C20H29FN2 — CID 145177225

IUPAC(Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine
SMILESC/C(=C/N)CN(C1=CCCC=C1)C(C)C1=CC=C(C(C)F)CC1
InChIInChI=1S/C20H29FN2/c1-15(13-22)14-23(20-7-5-4-6-8-20)17(3)19-11-9-18(10-12-19)16(2)21/h5,7-9,11,13,16-17H,4,6,10,12,14,22H2,1-3H3/b15-13-
InChIKeyRHMQNTLHEOGVJR-SQFISAMPSA-N
MW316.46 g/mol
LogP4.78
Rot. Bonds6

About (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine

(Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine (PubChem CID 145177225) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine
PubChem CID145177225
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC Name(Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine
SMILESC/C(=C/N)CN(C1=CCCC=C1)C(C)C1=CC=C(C(C)F)CC1
InChIInChI=1S/C20H29FN2/c1-15(13-22)14-23(20-7-5-4-6-8-20)17(3)19-11-9-18(10-12-19)16(2)21/h5,7-9,11,13,16-17H,4,6,10,12,14,22H2,1-3H3/b15-13-
InChIKeyRHMQNTLHEOGVJR-SQFISAMPSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine (CID 145177225) is (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine is C/C(=C/N)CN(C1=CCCC=C1)C(C)C1=CC=C(C(C)F)CC1.
What is the InChIKey of (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine?
The InChIKey is RHMQNTLHEOGVJR-SQFISAMPSA-N. The full InChI is InChI=1S/C20H29FN2/c1-15(13-22)14-23(20-7-5-4-6-8-20)17(3)19-11-9-18(10-12-19)16(2)21/h5,7-9,11,13,16-17H,4,6,10,12,14,22H2,1-3H3/b15-13-.
What are the key properties of (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine?
(Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine has a molecular weight of 316.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-cyclohexa-1,5-dien-1-yl-N'-[1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]ethyl]-2-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 145177225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).