(Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine

C22H43NS — CID 163457946

IUPAC(Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine
SMILESC=C(C)CCC(C)CNC(C)CCCC(CCC)C/C(=C/C)SC
InChIInChI=1S/C22H43NS/c1-8-11-21(16-22(9-2)24-7)13-10-12-20(6)23-17-19(5)15-14-18(3)4/h9,19-21,23H,3,8,10-17H2,1-2,4-7H3/b22-9-
InChIKeyBMBNPBVKKPRNGY-AFPJDJCSSA-N
MW353.66 g/mol
LogP7.20
Rot. Bonds15

About (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine

(Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine (PubChem CID 163457946) has the molecular formula C22H43NS and a molecular weight of 353.66 g/mol. Its IUPAC name is (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine.

Molecular Properties

Compound Name(Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine
PubChem CID163457946
Molecular FormulaC22H43NS
Molecular Weight353.66 g/mol
Exact Mass353.31
IUPAC Name(Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine
SMILESC=C(C)CCC(C)CNC(C)CCCC(CCC)C/C(=C/C)SC
InChIInChI=1S/C22H43NS/c1-8-11-21(16-22(9-2)24-7)13-10-12-20(6)23-17-19(5)15-14-18(3)4/h9,19-21,23H,3,8,10-17H2,1-2,4-7H3/b22-9-
InChIKeyBMBNPBVKKPRNGY-AFPJDJCSSA-N
XLogP7.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.66
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-4-methyloctadec-11-en-3-amine
CID 54151698
4-ethenyl-2-ethyl-N,8-dimethyl-9-methylsulfanyldodecan-1-amine
CID 123309984
3,4,11-Trimethyl-2-thia-10-azabicyclo[5.5.0]dodec-1(7)-ene
CID 123469460
N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine
CID 123594746
N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123631164
N-tert-butyl-6-ethyl-4-[[[(2Z)-hexa-2,5-dien-2-yl]-methyl-lambda4-sulfanylidene]methyl]nonan-1-amine
CID 123679987
5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine
CID 123827453
N,4,7-trimethyl-5-propyldec-5-en-2-amine
CID 123904855
N-[2-(3-methylsulfanyl-1,2,8,9,10,10a-hexahydrobenzo[8]annulen-7-yl)ethyl]propan-2-amine
CID 123952870
(6Z)-6-ethylidene-7-methyl-N-(3-methylhexyl)tetradecan-4-amine
CID 126612643
(1S)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016251
(1R)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016252

Frequently Asked Questions

What is the IUPAC name of (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine?
The IUPAC name of (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine (CID 163457946) is (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine.
What is the SMILES notation for (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine?
The canonical SMILES for (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine is C=C(C)CCC(C)CNC(C)CCCC(CCC)C/C(=C/C)SC.
What is the InChIKey of (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine?
The InChIKey is BMBNPBVKKPRNGY-AFPJDJCSSA-N. The full InChI is InChI=1S/C22H43NS/c1-8-11-21(16-22(9-2)24-7)13-10-12-20(6)23-17-19(5)15-14-18(3)4/h9,19-21,23H,3,8,10-17H2,1-2,4-7H3/b22-9-.
What are the key properties of (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine?
(Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine has a molecular weight of 353.66 g/mol, XLogP of 7.20, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-N-(2,5-dimethylhex-5-enyl)-8-methylsulfanyl-6-propyldec-8-en-2-amine is sourced from PubChem (CID 163457946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).