N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

C14H30N2S — CID 112658601

IUPACN-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)C1CCC(C)CC1
InChIInChI=1S/C14H30N2S/c1-11-5-7-13(8-6-11)14(9-15)16(3)12(2)10-17-4/h11-14H,5-10,15H2,1-4H3
InChIKeyVOTXGMSTJOTRKY-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.82
Rot. Bonds6

About N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (PubChem CID 112658601) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
PubChem CID112658601
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)C1CCC(C)CC1
InChIInChI=1S/C14H30N2S/c1-11-5-7-13(8-6-11)14(9-15)16(3)12(2)10-17-4/h11-14H,5-10,15H2,1-4H3
InChIKeyVOTXGMSTJOTRKY-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
CID 116651397
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334
1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
CID 116651214
1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64775854
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82734580
2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
CID 116653046
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
CID 116651335
(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
CID 106933660

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (CID 112658601) is N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is CSCC(C)N(C)C(CN)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is VOTXGMSTJOTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-11-5-7-13(8-6-11)14(9-15)16(3)12(2)10-17-4/h11-14H,5-10,15H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 258.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112658601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).