4-fluoro-2-N-methylhex-1-ene-2,5-diamine

C7H15FN2 — CID 139427003

IUPAC4-fluoro-2-N-methylhex-1-ene-2,5-diamine
SMILESC=C(CC(F)C(C)N)NC
InChIInChI=1S/C7H15FN2/c1-5(10-3)4-7(8)6(2)9/h6-7,10H,1,4,9H2,2-3H3
InChIKeyMUIJZKHFWKONBP-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.79
Rot. Bonds4

About 4-fluoro-2-N-methylhex-1-ene-2,5-diamine

4-fluoro-2-N-methylhex-1-ene-2,5-diamine (PubChem CID 139427003) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-fluoro-2-N-methylhex-1-ene-2,5-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methylhex-1-ene-2,5-diamine
PubChem CID139427003
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name4-fluoro-2-N-methylhex-1-ene-2,5-diamine
SMILESC=C(CC(F)C(C)N)NC
InChIInChI=1S/C7H15FN2/c1-5(10-3)4-7(8)6(2)9/h6-7,10H,1,4,9H2,2-3H3
InChIKeyMUIJZKHFWKONBP-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methylhex-1-ene-2,5-diamine?
The IUPAC name of 4-fluoro-2-N-methylhex-1-ene-2,5-diamine (CID 139427003) is 4-fluoro-2-N-methylhex-1-ene-2,5-diamine.
What is the SMILES notation for 4-fluoro-2-N-methylhex-1-ene-2,5-diamine?
The canonical SMILES for 4-fluoro-2-N-methylhex-1-ene-2,5-diamine is C=C(CC(F)C(C)N)NC.
What is the InChIKey of 4-fluoro-2-N-methylhex-1-ene-2,5-diamine?
The InChIKey is MUIJZKHFWKONBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-5(10-3)4-7(8)6(2)9/h6-7,10H,1,4,9H2,2-3H3.
What are the key properties of 4-fluoro-2-N-methylhex-1-ene-2,5-diamine?
4-fluoro-2-N-methylhex-1-ene-2,5-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methylhex-1-ene-2,5-diamine is sourced from PubChem (CID 139427003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).