4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine

C12H25NS — CID 79185950

IUPAC4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CSC(C)C)NCCC
InChIInChI=1S/C12H25NS/c1-6-7-13-12(8-10(2)3)9-14-11(4)5/h11-13H,2,6-9H2,1,3-5H3
InChIKeyISMVWRNBJXORRX-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.46
Rot. Bonds8

About 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine

4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine (PubChem CID 79185950) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
PubChem CID79185950
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CSC(C)C)NCCC
InChIInChI=1S/C12H25NS/c1-6-7-13-12(8-10(2)3)9-14-11(4)5/h11-13H,2,6-9H2,1,3-5H3
InChIKeyISMVWRNBJXORRX-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine
CID 79185838
1-tert-butylsulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186179
2-methyl-N-propyltridec-1-en-4-amine
CID 105004090
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186666
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
4-methyl-1-propan-2-ylsulfanylpent-4-en-2-amine
CID 79185837
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine?
The IUPAC name of 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine (CID 79185950) is 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine is C=C(C)CC(CSC(C)C)NCCC.
What is the InChIKey of 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine?
The InChIKey is ISMVWRNBJXORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-6-7-13-12(8-10(2)3)9-14-11(4)5/h11-13H,2,6-9H2,1,3-5H3.
What are the key properties of 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine?
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine is sourced from PubChem (CID 79185950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).