2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine

C10H18FN — CID 174062178

IUPAC2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine
SMILESC/C=C(/F)C(=CCC(C)C)CN
InChIInChI=1S/C10H18FN/c1-4-10(11)9(7-12)6-5-8(2)3/h4,6,8H,5,7,12H2,1-3H3/b9-6?,10-4+
InChIKeyKWLCEWJHPBOUCP-JZQVAUKWSA-N
MW171.26 g/mol
LogP2.79
Rot. Bonds4

About 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine

2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine (PubChem CID 174062178) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine.

Molecular Properties

Compound Name2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine
PubChem CID174062178
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine
SMILESC/C=C(/F)C(=CCC(C)C)CN
InChIInChI=1S/C10H18FN/c1-4-10(11)9(7-12)6-5-8(2)3/h4,6,8H,5,7,12H2,1-3H3/b9-6?,10-4+
InChIKeyKWLCEWJHPBOUCP-JZQVAUKWSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene
CID 143665023
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
(E)-1-amino-4-methylpent-1-ene-1-thiol
CID 166985345
(E)-5-fluoro-2,6-dimethylundec-4-ene
CID 58304612
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine
CID 146389117
(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine
CID 55254142
diethyl 2-(3-methylbutylidene)butanedioate
CID 87709740
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
2,8-dimethyl-5-(3-methylbutyl)non-4-ene
CID 19035560
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine?
The IUPAC name of 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine (CID 174062178) is 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine.
What is the SMILES notation for 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine?
The canonical SMILES for 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine is C/C=C(/F)C(=CCC(C)C)CN.
What is the InChIKey of 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine?
The InChIKey is KWLCEWJHPBOUCP-JZQVAUKWSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(11)9(7-12)6-5-8(2)3/h4,6,8H,5,7,12H2,1-3H3/b9-6?,10-4+.
What are the key properties of 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine?
2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine is sourced from PubChem (CID 174062178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).