N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine

C14H24N2S — CID 55004874

IUPACN-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cccs1
InChIInChI=1S/C14H24N2S/c1-11-6-3-4-7-12(11)16(2)13(10-15)14-8-5-9-17-14/h5,8-9,11-13H,3-4,6-7,10,15H2,1-2H3
InChIKeyCGJDQYIRGPKSDH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine

N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 55004874) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID55004874
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cccs1
InChIInChI=1S/C14H24N2S/c1-11-6-3-4-7-12(11)16(2)13(10-15)14-8-5-9-17-14/h5,8-9,11-13H,3-4,6-7,10,15H2,1-2H3
InChIKeyCGJDQYIRGPKSDH-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63464689
N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 55005212
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 106528596
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66158019
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66142037
3-[methyl-(2-methylcyclohexyl)amino]-3-phenylpropanethioamide
CID 62780450
2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
N-methyl-N-(2-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131408
1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79972660
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
CID 102631633

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine (CID 55004874) is N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine is CC1CCCCC1N(C)C(CN)c1cccs1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is CGJDQYIRGPKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-6-3-4-7-12(11)16(2)13(10-15)14-8-5-9-17-14/h5,8-9,11-13H,3-4,6-7,10,15H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine?
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 55004874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).