(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine

C16H30FN — CID 134365806

IUPAC(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
SMILESC=CCCC(/C=C\C(C)F)CCCN(C)CCC
InChIInChI=1S/C16H30FN/c1-5-7-9-16(12-11-15(3)17)10-8-14-18(4)13-6-2/h5,11-12,15-16H,1,6-10,13-14H2,2-4H3/b12-11-
InChIKeyNIKMBFLJEBRADV-QXMHVHEDSA-N
MW255.42 g/mol
LogP4.61
Rot. Bonds11

About (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine

(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine (PubChem CID 134365806) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine.

Molecular Properties

Compound Name(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
PubChem CID134365806
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
SMILESC=CCCC(/C=C\C(C)F)CCCN(C)CCC
InChIInChI=1S/C16H30FN/c1-5-7-9-16(12-11-15(3)17)10-8-14-18(4)13-6-2/h5,11-12,15-16H,1,6-10,13-14H2,2-4H3/b12-11-
InChIKeyNIKMBFLJEBRADV-QXMHVHEDSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine?
The IUPAC name of (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine (CID 134365806) is (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine.
What is the SMILES notation for (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine?
The canonical SMILES for (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine is C=CCCC(/C=C\C(C)F)CCCN(C)CCC.
What is the InChIKey of (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine?
The InChIKey is NIKMBFLJEBRADV-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H30FN/c1-5-7-9-16(12-11-15(3)17)10-8-14-18(4)13-6-2/h5,11-12,15-16H,1,6-10,13-14H2,2-4H3/b12-11-.
What are the key properties of (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine?
(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine has a molecular weight of 255.42 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine is sourced from PubChem (CID 134365806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).