(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine

C11H22N2OS — CID 135295396

IUPAC(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine
SMILESCC/C(C)=C\C(NSN(C)C)=C(/C)OC
InChIInChI=1S/C11H22N2OS/c1-7-9(2)8-11(10(3)14-6)12-15-13(4)5/h8,12H,7H2,1-6H3/b9-8-,11-10-
InChIKeyHYLTWUCNTUWOMZ-XESWYYRISA-N
MW230.38 g/mol
LogP2.93
Rot. Bonds6

About (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine

(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine (PubChem CID 135295396) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine
PubChem CID135295396
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine
SMILESCC/C(C)=C\C(NSN(C)C)=C(/C)OC
InChIInChI=1S/C11H22N2OS/c1-7-9(2)8-11(10(3)14-6)12-15-13(4)5/h8,12H,7H2,1-6H3/b9-8-,11-10-
InChIKeyHYLTWUCNTUWOMZ-XESWYYRISA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide
CID 135295379
(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
CID 143103707
methyl (Z)-3-methylpent-2-enoate
CID 12524083
(Z)-1-methoxy-2-methylbut-1-ene
CID 3033475
(3E,5E)-5-methoxy-3-methylocta-3,5-diene
CID 143342080
N-[(2Z,4Z)-2-hydroxy-5-methylhepta-2,4-dien-3-yl]methanesulfinamide
CID 145337558
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
2-methyl-1-propoxybut-1-ene
CID 91198308
ethane;(Z)-2-methoxy-3-methylpent-2-ene
CID 144825663
(Z)-4-methylhex-3-en-2-one
CID 12930146
(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
CID 143169630
(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene
CID 142132194

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine (CID 135295396) is (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine is CC/C(C)=C\C(NSN(C)C)=C(/C)OC.
What is the InChIKey of (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine?
The InChIKey is HYLTWUCNTUWOMZ-XESWYYRISA-N. The full InChI is InChI=1S/C11H22N2OS/c1-7-9(2)8-11(10(3)14-6)12-15-13(4)5/h8,12H,7H2,1-6H3/b9-8-,11-10-.
What are the key properties of (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine?
(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine has a molecular weight of 230.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 135295396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).