2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine

C16H28N2S — CID 64737229

IUPAC2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCN(Cc1cccs1)CC1C(C)CC(C)CC1N
InChIInChI=1S/C16H28N2S/c1-4-18(10-14-6-5-7-19-14)11-15-13(3)8-12(2)9-16(15)17/h5-7,12-13,15-16H,4,8-11,17H2,1-3H3
InChIKeyDPUPABYUOOJLFK-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.58
Rot. Bonds5

About 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64737229) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64737229
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCN(Cc1cccs1)CC1C(C)CC(C)CC1N
InChIInChI=1S/C16H28N2S/c1-4-18(10-14-6-5-7-19-14)11-15-13(3)8-12(2)9-16(15)17/h5-7,12-13,15-16H,4,8-11,17H2,1-3H3
InChIKeyDPUPABYUOOJLFK-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737227
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866036
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557859
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 63122818

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (CID 64737229) is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is CCN(Cc1cccs1)CC1C(C)CC(C)CC1N.
What is the InChIKey of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is DPUPABYUOOJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-18(10-14-6-5-7-19-14)11-15-13(3)8-12(2)9-16(15)17/h5-7,12-13,15-16H,4,8-11,17H2,1-3H3.
What are the key properties of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64737229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).