1-fluoro-4-methylhex-3-ene-2,5-diamine

C7H15FN2 — CID 54068661

IUPAC1-fluoro-4-methylhex-3-ene-2,5-diamine
SMILESCC(=CC(N)CF)C(C)N
InChIInChI=1S/C7H15FN2/c1-5(6(2)9)3-7(10)4-8/h3,6-7H,4,9-10H2,1-2H3
InChIKeyMEVPIRRZDMGTMM-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.58
Rot. Bonds3

About 1-fluoro-4-methylhex-3-ene-2,5-diamine

1-fluoro-4-methylhex-3-ene-2,5-diamine (PubChem CID 54068661) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-fluoro-4-methylhex-3-ene-2,5-diamine.

Molecular Properties

Compound Name1-fluoro-4-methylhex-3-ene-2,5-diamine
PubChem CID54068661
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-fluoro-4-methylhex-3-ene-2,5-diamine
SMILESCC(=CC(N)CF)C(C)N
InChIInChI=1S/C7H15FN2/c1-5(6(2)9)3-7(10)4-8/h3,6-7H,4,9-10H2,1-2H3
InChIKeyMEVPIRRZDMGTMM-UHFFFAOYSA-N
XLogP0.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
3-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine
CID 164649181
1-fluorohept-3-ene-2,5-diamine
CID 54476360
(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
CID 88998044
(E)-3-fluoro-5-methylhept-3-en-2-amine
CID 167092327
3,7-dimethyldeca-3,6,9-trien-2-amine
CID 123138602
(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine
CID 155349088
propane;propan-2-yl N-[(E)-3-amino-2-methylbut-1-enyl]ethanimidate
CID 143522817
(E)-4-(3,4-difluorophenyl)-3-methylbut-3-en-2-amine
CID 103091698
(Z)-4-aminopent-2-en-2-ol;ethane
CID 143707909

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylhex-3-ene-2,5-diamine?
The IUPAC name of 1-fluoro-4-methylhex-3-ene-2,5-diamine (CID 54068661) is 1-fluoro-4-methylhex-3-ene-2,5-diamine.
What is the SMILES notation for 1-fluoro-4-methylhex-3-ene-2,5-diamine?
The canonical SMILES for 1-fluoro-4-methylhex-3-ene-2,5-diamine is CC(=CC(N)CF)C(C)N.
What is the InChIKey of 1-fluoro-4-methylhex-3-ene-2,5-diamine?
The InChIKey is MEVPIRRZDMGTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-5(6(2)9)3-7(10)4-8/h3,6-7H,4,9-10H2,1-2H3.
What are the key properties of 1-fluoro-4-methylhex-3-ene-2,5-diamine?
1-fluoro-4-methylhex-3-ene-2,5-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylhex-3-ene-2,5-diamine is sourced from PubChem (CID 54068661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).