(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine

C14H27FN2 — CID 146537270

IUPAC(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine
SMILESCCC/N=C/C(=C\C(C)C(C)NC)CCCF
InChIInChI=1S/C14H27FN2/c1-5-9-17-11-14(7-6-8-15)10-12(2)13(3)16-4/h10-13,16H,5-9H2,1-4H3/b14-10-,17-11+
InChIKeyBTRXOKVDEBKEQO-AIXGLBGOSA-N
MW242.38 g/mol
LogP3.39
Rot. Bonds9

About (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine

(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine (PubChem CID 146537270) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine.

Molecular Properties

Compound Name(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine
PubChem CID146537270
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine
SMILESCCC/N=C/C(=C\C(C)C(C)NC)CCCF
InChIInChI=1S/C14H27FN2/c1-5-9-17-11-14(7-6-8-15)10-12(2)13(3)16-4/h10-13,16H,5-9H2,1-4H3/b14-10-,17-11+
InChIKeyBTRXOKVDEBKEQO-AIXGLBGOSA-N
XLogP3.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine?
The IUPAC name of (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine (CID 146537270) is (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine.
What is the SMILES notation for (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine?
The canonical SMILES for (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine is CCC/N=C/C(=C\C(C)C(C)NC)CCCF.
What is the InChIKey of (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine?
The InChIKey is BTRXOKVDEBKEQO-AIXGLBGOSA-N. The full InChI is InChI=1S/C14H27FN2/c1-5-9-17-11-14(7-6-8-15)10-12(2)13(3)16-4/h10-13,16H,5-9H2,1-4H3/b14-10-,17-11+.
What are the key properties of (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine?
(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine has a molecular weight of 242.38 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine is sourced from PubChem (CID 146537270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).