N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine

C23H41NS — CID 123631164

IUPACN-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCCC1=CC(C)C(SCCNCC=C(C)CCC=C(C)C)C(C)C1
InChIInChI=1S/C23H41NS/c1-7-9-22-16-20(5)23(21(6)17-22)25-15-14-24-13-12-19(4)11-8-10-18(2)3/h10,12,16,20-21,23-24H,7-9,11,13-15,17H2,1-6H3
InChIKeyVMKPCCMWFVSFBT-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.77
Rot. Bonds11

About N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine

N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 123631164) has the molecular formula C23H41NS and a molecular weight of 363.66 g/mol. Its IUPAC name is N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID123631164
Molecular FormulaC23H41NS
Molecular Weight363.66 g/mol
Exact Mass363.30
IUPAC NameN-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCCC1=CC(C)C(SCCNCC=C(C)CCC=C(C)C)C(C)C1
InChIInChI=1S/C23H41NS/c1-7-9-22-16-20(5)23(21(6)17-22)25-15-14-24-13-12-19(4)11-8-10-18(2)3/h10,12,16,20-21,23-24H,7-9,11,13-15,17H2,1-6H3
InChIKeyVMKPCCMWFVSFBT-UHFFFAOYSA-N
XLogP6.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.66
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylethanamine
CID 19802885
2-(3,7,11,15-Tetramethyl-2-hexadecaen-1-ylthio)ethylamine
CID 73654277
[3-(Methylaminomethyl)-5-(undecan-6-ylsulfanylmethyl)cyclohexa-2,4-dien-1-yl]methanethiol
CID 87414099
(2E)-N-[2-(2-adamantylsulfanyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 117951426
N-[2-(2-adamantylsulfanyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123579262
N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123706253
N-methyl-2-(3,4,4,9,10-pentamethylundeca-2,8-dienylsulfanyl)ethanamine
CID 123866840
(E)-5-[4-[5-[(Z)-hept-2-en-3-yl]sulfanyl-3-methylpent-1-en-2-yl]-3-methyl-5-methylidenecyclohexa-1,3-dien-1-yl]-N-methylhex-1-en-1-amine
CID 126684748
4-(3-Hexylthiolan-2-yl)-2,6-dimethyl-1,2-dihydropyridine
CID 126728000
4-methyl-2-[(E)-9-methyl-7-methylidene-5-(2-methylprop-2-enyl)dec-3-enyl]sulfanylpent-1-en-3-amine
CID 132162718
5-methylidene-N-[1-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropan-2-yl]hept-1-en-2-amine
CID 134568497
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 123631164) is N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine is CCCC1=CC(C)C(SCCNCC=C(C)CCC=C(C)C)C(C)C1.
What is the InChIKey of N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is VMKPCCMWFVSFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NS/c1-7-9-22-16-20(5)23(21(6)17-22)25-15-14-24-13-12-19(4)11-8-10-18(2)3/h10,12,16,20-21,23-24H,7-9,11,13-15,17H2,1-6H3.
What are the key properties of N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine?
N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 363.66 g/mol, XLogP of 6.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 123631164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).