(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine

C14H27FN2 — CID 123996535

IUPAC(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine
SMILES[H]/N=C(/C=C\CCC(C)(F)C(C)(C)C)C(N)CC
InChIInChI=1S/C14H27FN2/c1-6-11(16)12(17)9-7-8-10-14(5,15)13(2,3)4/h7,9,11,17H,6,8,10,16H2,1-5H3/b9-7-,17-12-
InChIKeyODXIHAMXRKCSEV-JKFBDIMUSA-N
MW242.38 g/mol
LogP3.85
Rot. Bonds6

About (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine

(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine (PubChem CID 123996535) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine.

Molecular Properties

Compound Name(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine
PubChem CID123996535
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine
SMILES[H]/N=C(/C=C\CCC(C)(F)C(C)(C)C)C(N)CC
InChIInChI=1S/C14H27FN2/c1-6-11(16)12(17)9-7-8-10-14(5,15)13(2,3)4/h7,9,11,17H,6,8,10,16H2,1-5H3/b9-7-,17-12-
InChIKeyODXIHAMXRKCSEV-JKFBDIMUSA-N
XLogP3.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-Fluoro-2-imino-6-methylcyclohex-3-en-1-amine
CID 91117964
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
(Z)-4-imino-8,8-dimethylnon-5-en-2-amine
CID 123296105

Frequently Asked Questions

What is the IUPAC name of (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine?
The IUPAC name of (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine (CID 123996535) is (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine.
What is the SMILES notation for (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine?
The canonical SMILES for (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine is [H]/N=C(/C=C\CCC(C)(F)C(C)(C)C)C(N)CC.
What is the InChIKey of (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine?
The InChIKey is ODXIHAMXRKCSEV-JKFBDIMUSA-N. The full InChI is InChI=1S/C14H27FN2/c1-6-11(16)12(17)9-7-8-10-14(5,15)13(2,3)4/h7,9,11,17H,6,8,10,16H2,1-5H3/b9-7-,17-12-.
What are the key properties of (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine?
(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine has a molecular weight of 242.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine is sourced from PubChem (CID 123996535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).