1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C16H28N2S — CID 112682362

IUPAC1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(CN)(NCc2cccs2)C1
InChIInChI=1S/C16H28N2S/c1-14(2)9-15(3,4)11-16(10-14,12-17)18-8-13-6-5-7-19-13/h5-7,18H,8-12,17H2,1-4H3
InChIKeyGTBYYNBPYJKWQP-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.77
Rot. Bonds4

About 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 112682362) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID112682362
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(CN)(NCc2cccs2)C1
InChIInChI=1S/C16H28N2S/c1-14(2)9-15(3,4)11-16(10-14,12-17)18-8-13-6-5-7-19-13/h5-7,18H,8-12,17H2,1-4H3
InChIKeyGTBYYNBPYJKWQP-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5,5-tetramethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 112682396
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379549
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 65379750
[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
CID 61057016

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 112682362) is 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is CC1(C)CC(C)(C)CC(CN)(NCc2cccs2)C1.
What is the InChIKey of 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is GTBYYNBPYJKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14(2)9-15(3,4)11-16(10-14,12-17)18-8-13-6-5-7-19-13/h5-7,18H,8-12,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 112682362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).