1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine

C17H36N2S — CID 115985606

IUPAC1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
SMILESCSCCN(C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C17H36N2S/c1-19(14-15-20-2)17(16-18)12-10-8-6-4-3-5-7-9-11-13-17/h3-16,18H2,1-2H3
InChIKeyPTYKZBNXHZPHTE-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.28
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine

1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine (PubChem CID 115985606) has the molecular formula C17H36N2S and a molecular weight of 300.56 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
PubChem CID115985606
Molecular FormulaC17H36N2S
Molecular Weight300.56 g/mol
Exact Mass300.26
IUPAC Name1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
SMILESCSCCN(C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C17H36N2S/c1-19(14-15-20-2)17(16-18)12-10-8-6-4-3-5-7-9-11-13-17/h3-16,18H2,1-2H3
InChIKeyPTYKZBNXHZPHTE-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585232
5-dodecylsulfanyl-2-(3-dodecylsulfanylpropyl)-1-N,1-N-dimethylpentane-1,2-diamine
CID 118648517
1-Hexan-2-yl-4-(3-methyl-1-methylsulfanylnonan-3-yl)piperazine
CID 123702485
7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine
CID 130426418
4-(6-Methyldodecan-6-yl)thiomorpholin-2-amine
CID 170309561
4-(7-Methyltridecan-7-yl)thiomorpholin-2-amine
CID 170314143
(1-Thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-butyl-N-methylcyclododecan-1-amine
CID 29548837
2-Methyl-2-thiomorpholin-4-yloctan-1-amine
CID 43130152
2-Methyl-2-thiomorpholin-4-ylnonan-1-amine
CID 43130153
1-(aminomethyl)-N-ethyl-N-methylcyclododecan-1-amine
CID 43263256

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine (CID 115985606) is 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine is CSCCN(C)C1(CN)CCCCCCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine?
The InChIKey is PTYKZBNXHZPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2S/c1-19(14-15-20-2)17(16-18)12-10-8-6-4-3-5-7-9-11-13-17/h3-16,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine?
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine has a molecular weight of 300.56 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine is sourced from PubChem (CID 115985606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).