(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine

C10H18FN — CID 130233741

IUPAC(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
SMILESC=CC(F)N/C(C)=C\CC(C)C
InChIInChI=1S/C10H18FN/c1-5-10(11)12-9(4)7-6-8(2)3/h5,7-8,10,12H,1,6H2,2-4H3/b9-7-
InChIKeyVGYACUHCNKDEGQ-CLFYSBASSA-N
MW171.26 g/mol
LogP3.01
Rot. Bonds5

About (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine

(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine (PubChem CID 130233741) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
PubChem CID130233741
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
SMILESC=CC(F)N/C(C)=C\CC(C)C
InChIInChI=1S/C10H18FN/c1-5-10(11)12-9(4)7-6-8(2)3/h5,7-8,10,12H,1,6H2,2-4H3/b9-7-
InChIKeyVGYACUHCNKDEGQ-CLFYSBASSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine
CID 89088185
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
CID 126583190
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
CID 126586946
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine
CID 134365669
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
CID 139324079
(3E)-3-fluoro-5-methyl-N-(3-methylbut-2-enyl)hexa-1,3,5-trien-2-amine
CID 142089087

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine?
The IUPAC name of (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine (CID 130233741) is (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine.
What is the SMILES notation for (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine?
The canonical SMILES for (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine is C=CC(F)N/C(C)=C\CC(C)C.
What is the InChIKey of (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine?
The InChIKey is VGYACUHCNKDEGQ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-10(11)12-9(4)7-6-8(2)3/h5,7-8,10,12H,1,6H2,2-4H3/b9-7-.
What are the key properties of (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine?
(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine has a molecular weight of 171.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine is sourced from PubChem (CID 130233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).