(Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane

C14H29NS2 — CID 143774141

IUPAC(Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane
SMILESC.CCC(/C=C\CC1(C)SCCCS1)N(C)C
InChIInChI=1S/C13H25NS2.CH4/c1-5-12(14(3)4)8-6-9-13(2)15-10-7-11-16-13;/h6,8,12H,5,7,9-11H2,1-4H3;1H4/b8-6-;
InChIKeyCWPBBCYRAPYIPL-PHZXCRFESA-N
MW275.53 g/mol
LogP4.50
Rot. Bonds5

About (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane

(Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane (PubChem CID 143774141) has the molecular formula C14H29NS2 and a molecular weight of 275.53 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane
PubChem CID143774141
Molecular FormulaC14H29NS2
Molecular Weight275.53 g/mol
Exact Mass275.17
IUPAC Name(Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane
SMILESC.CCC(/C=C\CC1(C)SCCCS1)N(C)C
InChIInChI=1S/C13H25NS2.CH4/c1-5-12(14(3)4)8-6-9-13(2)15-10-7-11-16-13;/h6,8,12H,5,7,9-11H2,1-4H3;1H4/b8-6-;
InChIKeyCWPBBCYRAPYIPL-PHZXCRFESA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane?
The IUPAC name of (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane (CID 143774141) is (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane.
What is the SMILES notation for (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane?
The canonical SMILES for (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane is C.CCC(/C=C\CC1(C)SCCCS1)N(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane?
The InChIKey is CWPBBCYRAPYIPL-PHZXCRFESA-N. The full InChI is InChI=1S/C13H25NS2.CH4/c1-5-12(14(3)4)8-6-9-13(2)15-10-7-11-16-13;/h6,8,12H,5,7,9-11H2,1-4H3;1H4/b8-6-;.
What are the key properties of (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane?
(Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane has a molecular weight of 275.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-6-(2-methyl-1,3-dithian-2-yl)hex-4-en-3-amine;methane is sourced from PubChem (CID 143774141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).