N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine

C9H15FN2 — CID 156741320

IUPACN'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)C1=CCC(F)C=C1
InChIInChI=1S/C9H15FN2/c1-12(7-6-11)9-4-2-8(10)3-5-9/h2,4-5,8H,3,6-7,11H2,1H3
InChIKeyJOPPYGPYVYBSDG-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.06
Rot. Bonds3

About N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine

N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine (PubChem CID 156741320) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine
PubChem CID156741320
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC NameN'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)C1=CCC(F)C=C1
InChIInChI=1S/C9H15FN2/c1-12(7-6-11)9-4-2-8(10)3-5-9/h2,4-5,8H,3,6-7,11H2,1H3
InChIKeyJOPPYGPYVYBSDG-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
CID 123637709
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
N'-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 142349477
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
CID 142862529
2-fluoro-1-N-methyl-1-N-[2-(methylamino)ethyl]cyclohepta-2,4,7-triene-1,4-diamine
CID 143599143
1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
CID 143848920
N,N'-dimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 145278555
1-N-[2-(dimethylamino)ethyl]-2-fluoro-1-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 153631110

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine (CID 156741320) is N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine is CN(CCN)C1=CCC(F)C=C1.
What is the InChIKey of N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine?
The InChIKey is JOPPYGPYVYBSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-12(7-6-11)9-4-2-8(10)3-5-9/h2,4-5,8H,3,6-7,11H2,1H3.
What are the key properties of N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine?
N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine has a molecular weight of 170.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 156741320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).