N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine

C7H15FN2 — CID 143723954

IUPACN'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(NCCN)C(C)(C)F
InChIInChI=1S/C7H15FN2/c1-6(7(2,3)8)10-5-4-9/h10H,1,4-5,9H2,2-3H3
InChIKeyXTOANYJTYYCDDZ-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.80
Rot. Bonds4

About N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine

N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine (PubChem CID 143723954) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine
PubChem CID143723954
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC NameN'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(NCCN)C(C)(C)F
InChIInChI=1S/C7H15FN2/c1-6(7(2,3)8)10-5-4-9/h10H,1,4-5,9H2,2-3H3
InChIKeyXTOANYJTYYCDDZ-UHFFFAOYSA-N
XLogP0.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291029
2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291030
3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
CID 146341897
N-ethyl-3-fluorobut-1-en-2-amine
CID 170019433
N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine
CID 153367845
N-(2-fluoroethyl)-3-methylbut-1-en-2-amine
CID 158006518
N'-but-1-en-2-yl-N-ethylethane-1,2-diamine
CID 59197969
N'-but-1-en-2-ylethane-1,2-diamine
CID 89012333
N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 90261773
N'-(3-methylbut-1-en-2-yl)ethane-1,2-diamine
CID 132092919
1-N-(2-aminoethyl)-3-N-methylbut-3-ene-1,3-diamine
CID 143841599

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine (CID 143723954) is N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine is C=C(NCCN)C(C)(C)F.
What is the InChIKey of N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine?
The InChIKey is XTOANYJTYYCDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6(7(2,3)8)10-5-4-9/h10H,1,4-5,9H2,2-3H3.
What are the key properties of N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine?
N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 143723954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).