N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine

C13H24FN — CID 139356925

IUPACN-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine
SMILESCC/C=C(\F)C(C)CCCNC1(C)CC1
InChIInChI=1S/C13H24FN/c1-4-6-12(14)11(2)7-5-10-15-13(3)8-9-13/h6,11,15H,4-5,7-10H2,1-3H3/b12-6-
InChIKeyVYVLDFDFSKNTNT-SDQBBNPISA-N
MW213.34 g/mol
LogP3.81
Rot. Bonds7

About N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine

N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine (PubChem CID 139356925) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine
PubChem CID139356925
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC NameN-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine
SMILESCC/C=C(\F)C(C)CCCNC1(C)CC1
InChIInChI=1S/C13H24FN/c1-4-6-12(14)11(2)7-5-10-15-13(3)8-9-13/h6,11,15H,4-5,7-10H2,1-3H3/b12-6-
InChIKeyVYVLDFDFSKNTNT-SDQBBNPISA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine (CID 139356925) is N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine is CC/C=C(\F)C(C)CCCNC1(C)CC1.
What is the InChIKey of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine?
The InChIKey is VYVLDFDFSKNTNT-SDQBBNPISA-N. The full InChI is InChI=1S/C13H24FN/c1-4-6-12(14)11(2)7-5-10-15-13(3)8-9-13/h6,11,15H,4-5,7-10H2,1-3H3/b12-6-.
What are the key properties of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine?
N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine has a molecular weight of 213.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 139356925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).