N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine

C15H28FN — CID 154979906

IUPACN-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine
SMILESCC/C=C(\F)C(C)CCCNC1(C(C)C)CC1
InChIInChI=1S/C15H28FN/c1-5-7-14(16)13(4)8-6-11-17-15(9-10-15)12(2)3/h7,12-13,17H,5-6,8-11H2,1-4H3/b14-7-
InChIKeyVBSFPXPDHZGVPZ-AUWJEWJLSA-N
MW241.39 g/mol
LogP4.44
Rot. Bonds8

About N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine

N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine (PubChem CID 154979906) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine
PubChem CID154979906
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC NameN-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine
SMILESCC/C=C(\F)C(C)CCCNC1(C(C)C)CC1
InChIInChI=1S/C15H28FN/c1-5-7-14(16)13(4)8-6-11-17-15(9-10-15)12(2)3/h7,12-13,17H,5-6,8-11H2,1-4H3/b14-7-
InChIKeyVBSFPXPDHZGVPZ-AUWJEWJLSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.44
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-propan-2-ylcyclopropan-1-amine?
The IUPAC name of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine (CID 154979906) is N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine is CC/C=C(\F)C(C)CCCNC1(C(C)C)CC1.
What is the InChIKey of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine?
The InChIKey is VBSFPXPDHZGVPZ-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H28FN/c1-5-7-14(16)13(4)8-6-11-17-15(9-10-15)12(2)3/h7,12-13,17H,5-6,8-11H2,1-4H3/b14-7-.
What are the key properties of N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine?
N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine has a molecular weight of 241.39 g/mol, XLogP of 4.44, 8 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-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 154979906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).