(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine

C11H18F5NS — CID 145278551

IUPAC(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine
SMILESC=C/C(=C\C(=C)C(C)CCNC)S(F)(F)(F)(F)F
InChIInChI=1S/C11H18F5NS/c1-5-11(18(12,13,14,15)16)8-10(3)9(2)6-7-17-4/h5,8-9,17H,1,3,6-7H2,2,4H3/b11-8+
InChIKeyBDGHKHKDRRLHNA-DHZHZOJOSA-N
MW291.33 g/mol
LogP5.16
Rot. Bonds7

About (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine

(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine (PubChem CID 145278551) has the molecular formula C11H18F5NS and a molecular weight of 291.33 g/mol. Its IUPAC name is (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine
PubChem CID145278551
Molecular FormulaC11H18F5NS
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine
SMILESC=C/C(=C\C(=C)C(C)CCNC)S(F)(F)(F)(F)F
InChIInChI=1S/C11H18F5NS/c1-5-11(18(12,13,14,15)16)8-10(3)9(2)6-7-17-4/h5,8-9,17H,1,3,6-7H2,2,4H3/b11-8+
InChIKeyBDGHKHKDRRLHNA-DHZHZOJOSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine with MolForge

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Related Compounds

N,5-dimethyl-6-methylideneoct-7-en-1-amine
CID 143352180
1-N,3-dimethylpent-4-ene-1,4-diamine
CID 142892579
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
CID 156713243
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine
CID 143587043
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
4-fluoro-1-(methylamino)pentan-3-ol
CID 174427700
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805

Frequently Asked Questions

What is the IUPAC name of (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine?
The IUPAC name of (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine (CID 145278551) is (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine.
What is the SMILES notation for (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine?
The canonical SMILES for (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine is C=C/C(=C\C(=C)C(C)CCNC)S(F)(F)(F)(F)F.
What is the InChIKey of (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine?
The InChIKey is BDGHKHKDRRLHNA-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H18F5NS/c1-5-11(18(12,13,14,15)16)8-10(3)9(2)6-7-17-4/h5,8-9,17H,1,3,6-7H2,2,4H3/b11-8+.
What are the key properties of (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine?
(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine has a molecular weight of 291.33 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine is sourced from PubChem (CID 145278551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).