(4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine

C11H19NS — CID 168913184

IUPAC(4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine
SMILESC=C/C(=C\C(=C)C)CC(N)CSC
InChIInChI=1S/C11H19NS/c1-5-10(6-9(2)3)7-11(12)8-13-4/h5-6,11H,1-2,7-8,12H2,3-4H3/b10-6+
InChIKeyAOQWIDNZVNNQRD-UXBLZVDNSA-N
MW197.35 g/mol
LogP2.76
Rot. Bonds6

About (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine

(4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine (PubChem CID 168913184) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine
PubChem CID168913184
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine
SMILESC=C/C(=C\C(=C)C)CC(N)CSC
InChIInChI=1S/C11H19NS/c1-5-10(6-9(2)3)7-11(12)8-13-4/h5-6,11H,1-2,7-8,12H2,3-4H3/b10-6+
InChIKeyAOQWIDNZVNNQRD-UXBLZVDNSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-Fluoro-3-[4-(fluoromethylsulfanyl)cyclohexa-1,5-dien-1-yl]propan-2-amine
CID 129313233
5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine
CID 163602540
1-Fluoro-3-[5-(3-fluoropropylsulfanyl)cyclohepta-1,3,6-trien-1-yl]propan-2-amine
CID 143418283
3-Methyl-1,5-bis(methylsulfanyl)cyclohexa-3,5-diene-1,2-diamine
CID 66653789
2-(Cyclohexa-1,5-dien-1-ylmethylsulfanyl)-2-methylpropan-1-amine
CID 67490116
4,6-Dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine
CID 67926738
4,4a-dihydro-3H-isothiochromen-4-amine
CID 70102450
2-Methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 70974519
(E)-2-ethenyl-3-methylsulfanylhept-2-en-1-amine
CID 87096284
(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87415061
(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol
CID 88578834
(3S)-4-methylidene-1-methylsulfanylhept-6-en-3-amine
CID 88850658

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine?
The IUPAC name of (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine (CID 168913184) is (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine is C=C/C(=C\C(=C)C)CC(N)CSC.
What is the InChIKey of (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine?
The InChIKey is AOQWIDNZVNNQRD-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-10(6-9(2)3)7-11(12)8-13-4/h5-6,11H,1-2,7-8,12H2,3-4H3/b10-6+.
What are the key properties of (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine?
(4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine has a molecular weight of 197.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenyl-6-methyl-1-methylsulfanylhepta-4,6-dien-2-amine is sourced from PubChem (CID 168913184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).