1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine

C11H20FN3 — CID 142804249

IUPAC1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
SMILESCN(C)CCCC1(N)C=C(F)C=CC1N
InChIInChI=1S/C11H20FN3/c1-15(2)7-3-6-11(14)8-9(12)4-5-10(11)13/h4-5,8,10H,3,6-7,13-14H2,1-2H3
InChIKeyXHXFRJGKKRVDAL-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.78
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine

1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine (PubChem CID 142804249) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
PubChem CID142804249
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
SMILESCN(C)CCCC1(N)C=C(F)C=CC1N
InChIInChI=1S/C11H20FN3/c1-15(2)7-3-6-11(14)8-9(12)4-5-10(11)13/h4-5,8,10H,3,6-7,13-14H2,1-2H3
InChIKeyXHXFRJGKKRVDAL-UHFFFAOYSA-N
XLogP0.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine (CID 142804249) is 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine is CN(C)CCCC1(N)C=C(F)C=CC1N.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
The InChIKey is XHXFRJGKKRVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-15(2)7-3-6-11(14)8-9(12)4-5-10(11)13/h4-5,8,10H,3,6-7,13-14H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine has a molecular weight of 213.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 142804249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).