(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine

C10H18FN — CID 130314599

IUPAC(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine
SMILESC=C/C(=C/CN)C(C)CCCF
InChIInChI=1S/C10H18FN/c1-3-10(6-8-12)9(2)5-4-7-11/h3,6,9H,1,4-5,7-8,12H2,2H3/b10-6-
InChIKeyNGEUSXYJVVBUOL-POHAHGRESA-N
MW171.26 g/mol
LogP2.44
Rot. Bonds6

About (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine

(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine (PubChem CID 130314599) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine
PubChem CID130314599
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine
SMILESC=C/C(=C/CN)C(C)CCCF
InChIInChI=1S/C10H18FN/c1-3-10(6-8-12)9(2)5-4-7-11/h3,6,9H,1,4-5,7-8,12H2,2H3/b10-6-
InChIKeyNGEUSXYJVVBUOL-POHAHGRESA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.44
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

3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
(E)-5-(fluoromethyl)hept-2-en-1-amine
CID 87633570
(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine
CID 89168462
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
CID 89318381
(5-Fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine
CID 91099450
5-(Fluoromethyl)hept-2-en-1-amine
CID 91369238
2-Ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
CID 123558340
3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine
CID 123881219
(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine
CID 126537665
[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine
CID 129108563
(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine
CID 129267288
(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine
CID 130241025

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine?
The IUPAC name of (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine (CID 130314599) is (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine.
What is the SMILES notation for (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine?
The canonical SMILES for (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine is C=C/C(=C/CN)C(C)CCCF.
What is the InChIKey of (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine?
The InChIKey is NGEUSXYJVVBUOL-POHAHGRESA-N. The full InChI is InChI=1S/C10H18FN/c1-3-10(6-8-12)9(2)5-4-7-11/h3,6,9H,1,4-5,7-8,12H2,2H3/b10-6-.
What are the key properties of (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine?
(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine is sourced from PubChem (CID 130314599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).