4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine

C14H29NS — CID 142174144

IUPAC4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine
SMILESC=CCC(C)(C)C.CC(C)C1CSCN1C
InChIInChI=1S/C7H15NS.C7H14/c1-6(2)7-4-9-5-8(7)3;1-5-6-7(2,3)4/h6-7H,4-5H2,1-3H3;5H,1,6H2,2-4H3
InChIKeyZUJAPBFCBXQVBS-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.26
Rot. Bonds2

About 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine

4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine (PubChem CID 142174144) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine
PubChem CID142174144
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine
SMILESC=CCC(C)(C)C.CC(C)C1CSCN1C
InChIInChI=1S/C7H15NS.C7H14/c1-6(2)7-4-9-5-8(7)3;1-5-6-7(2,3)4/h6-7H,4-5H2,1-3H3;5H,1,6H2,2-4H3
InChIKeyZUJAPBFCBXQVBS-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine with MolForge

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Related Compounds

3-Methyl-4-prop-2-enyl-1,3-thiazolidine
CID 123679768
2-Ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine
CID 166818270
(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine
CID 166901417

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine (CID 142174144) is 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine is C=CCC(C)(C)C.CC(C)C1CSCN1C.
What is the InChIKey of 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine?
The InChIKey is ZUJAPBFCBXQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.C7H14/c1-6(2)7-4-9-5-8(7)3;1-5-6-7(2,3)4/h6-7H,4-5H2,1-3H3;5H,1,6H2,2-4H3.
What are the key properties of 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine?
4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine has a molecular weight of 243.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 142174144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).