2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine

C14H30N2S — CID 112664707

IUPAC2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)CCSC)C1
InChIInChI=1S/C14H30N2S/c1-4-5-12-6-7-14(15)13(10-12)11-16(2)8-9-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeySRNWSLNEBPWRIV-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.82
Rot. Bonds7

About 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine

2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 112664707) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID112664707
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)CCSC)C1
InChIInChI=1S/C14H30N2S/c1-4-5-12-6-7-14(15)13(10-12)11-16(2)8-9-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeySRNWSLNEBPWRIV-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664797
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63007747
2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093550
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
CID 103060776
2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63493740
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608938
N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743288
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63025830
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine (CID 112664707) is 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN(C)CCSC)C1.
What is the InChIKey of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is SRNWSLNEBPWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-4-5-12-6-7-14(15)13(10-12)11-16(2)8-9-17-3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine?
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 112664707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).