6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine

C17H28N2S — CID 79848238

IUPAC6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(CN(Cc2ccsc2)C2CC2)C1N
InChIInChI=1S/C17H28N2S/c1-17(2)8-3-4-14(16(17)18)11-19(15-5-6-15)10-13-7-9-20-12-13/h7,9,12,14-16H,3-6,8,10-11,18H2,1-2H3
InChIKeyXYDDVOQTXUEQKU-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.87
Rot. Bonds5

About 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine

6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79848238) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79848238
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(CN(Cc2ccsc2)C2CC2)C1N
InChIInChI=1S/C17H28N2S/c1-17(2)8-3-4-14(16(17)18)11-19(15-5-6-15)10-13-7-9-20-12-13/h7,9,12,14-16H,3-6,8,10-11,18H2,1-2H3
InChIKeyXYDDVOQTXUEQKU-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849446
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493524
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 61433850
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
2,2-dimethyl-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79852664

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (CID 79848238) is 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(CN(Cc2ccsc2)C2CC2)C1N.
What is the InChIKey of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is XYDDVOQTXUEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-17(2)8-3-4-14(16(17)18)11-19(15-5-6-15)10-13-7-9-20-12-13/h7,9,12,14-16H,3-6,8,10-11,18H2,1-2H3.
What are the key properties of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79848238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).