N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine

C18H37NS — CID 64611731

IUPACN-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1SCC(C)C
InChIInChI=1S/C18H37NS/c1-4-19-17-13-11-9-7-5-6-8-10-12-14-18(17)20-15-16(2)3/h16-19H,4-15H2,1-3H3
InChIKeyMSXJIIGWYIBRGL-UHFFFAOYSA-N
MW299.57 g/mol
LogP5.64
Rot. Bonds5

About N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine

N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine (PubChem CID 64611731) has the molecular formula C18H37NS and a molecular weight of 299.57 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine
PubChem CID64611731
Molecular FormulaC18H37NS
Molecular Weight299.57 g/mol
Exact Mass299.26
IUPAC NameN-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1SCC(C)C
InChIInChI=1S/C18H37NS/c1-4-19-17-13-11-9-7-5-6-8-10-12-14-18(17)20-15-16(2)3/h16-19H,4-15H2,1-3H3
InChIKeyMSXJIIGWYIBRGL-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.57
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine (CID 64611731) is N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine is CCNC1CCCCCCCCCCC1SCC(C)C.
What is the InChIKey of N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine?
The InChIKey is MSXJIIGWYIBRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NS/c1-4-19-17-13-11-9-7-5-6-8-10-12-14-18(17)20-15-16(2)3/h16-19H,4-15H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine?
N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine has a molecular weight of 299.57 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine is sourced from PubChem (CID 64611731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).