N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine

C23H41NS — CID 123706253

IUPACN-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCCSC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H41NS/c1-17(2)7-6-8-18(3)9-10-24-11-12-25-23-20(5)15-21-13-19(4)14-22(23)16-21/h7,9,19-24H,6,8,10-16H2,1-5H3
InChIKeyUFCZGQINGIUJJN-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.46
Rot. Bonds9

About N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine

N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 123706253) has the molecular formula C23H41NS and a molecular weight of 363.66 g/mol. Its IUPAC name is N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound NameN-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID123706253
Molecular FormulaC23H41NS
Molecular Weight363.66 g/mol
Exact Mass363.30
IUPAC NameN-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCCSC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H41NS/c1-17(2)7-6-8-18(3)9-10-24-11-12-25-23-20(5)15-21-13-19(4)14-22(23)16-21/h7,9,19-24H,6,8,10-16H2,1-5H3
InChIKeyUFCZGQINGIUJJN-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.66
LogP ≤ 56.46
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-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(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-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123631164

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 123706253) is N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCCC(C)=CCNCCSC1C(C)CC2CC(C)CC1C2.
What is the InChIKey of N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is UFCZGQINGIUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NS/c1-17(2)7-6-8-18(3)9-10-24-11-12-25-23-20(5)15-21-13-19(4)14-22(23)16-21/h7,9,19-24H,6,8,10-16H2,1-5H3.
What are the key properties of N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 363.66 g/mol, XLogP of 6.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)sulfanyl]ethyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 123706253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).