(Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine

C11H20FN — CID 143782145

IUPAC(Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine
SMILESC=C(/C=C\C)C(C)(F)CCN(C)C
InChIInChI=1S/C11H20FN/c1-6-7-10(2)11(3,12)8-9-13(4)5/h6-7H,2,8-9H2,1,3-5H3/b7-6-
InChIKeyPKVDEUNVOXLPCM-SREVYHEPSA-N
MW185.29 g/mol
LogP2.80
Rot. Bonds5

About (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine

(Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine (PubChem CID 143782145) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine
PubChem CID143782145
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine
SMILESC=C(/C=C\C)C(C)(F)CCN(C)C
InChIInChI=1S/C11H20FN/c1-6-7-10(2)11(3,12)8-9-13(4)5/h6-7H,2,8-9H2,1,3-5H3/b7-6-
InChIKeyPKVDEUNVOXLPCM-SREVYHEPSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine?
The IUPAC name of (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine (CID 143782145) is (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine is C=C(/C=C\C)C(C)(F)CCN(C)C.
What is the InChIKey of (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine?
The InChIKey is PKVDEUNVOXLPCM-SREVYHEPSA-N. The full InChI is InChI=1S/C11H20FN/c1-6-7-10(2)11(3,12)8-9-13(4)5/h6-7H,2,8-9H2,1,3-5H3/b7-6-.
What are the key properties of (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine?
(Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-N,N,3-trimethyl-4-methylidenehept-5-en-1-amine is sourced from PubChem (CID 143782145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).