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

C16H28N2S — CID 43528145

IUPAC1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)Cc2ccsc2)C1
InChIInChI=1S/C16H28N2S/c1-13-7-15(2,3)11-16(8-13,12-17)18(4)9-14-5-6-19-10-14/h5-6,10,13H,7-9,11-12,17H2,1-4H3
InChIKeyKBLDHUHSPHJFPZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.72
Rot. Bonds4

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

1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 43528145) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID43528145
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)Cc2ccsc2)C1
InChIInChI=1S/C16H28N2S/c1-13-7-15(2,3)11-16(8-13,12-17)18(4)9-14-5-6-19-10-14/h5-6,10,13H,7-9,11-12,17H2,1-4H3
InChIKeyKBLDHUHSPHJFPZ-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 43528145) is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is CC1CC(C)(C)CC(CN)(N(C)Cc2ccsc2)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is KBLDHUHSPHJFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13-7-15(2,3)11-16(8-13,12-17)18(4)9-14-5-6-19-10-14/h5-6,10,13H,7-9,11-12,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43528145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).