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

C14H24N2S — CID 43528148

IUPAC1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)Cc2ccsc2)C1
InChIInChI=1S/C14H24N2S/c1-12-4-3-6-14(8-12,11-15)16(2)9-13-5-7-17-10-13/h5,7,10,12H,3-4,6,8-9,11,15H2,1-2H3
InChIKeyQSWALIJOQCYCQK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds4

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

1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 43528148) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID43528148
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)Cc2ccsc2)C1
InChIInChI=1S/C14H24N2S/c1-12-4-3-6-14(8-12,11-15)16(2)9-13-5-7-17-10-13/h5,7,10,12H,3-4,6,8-9,11,15H2,1-2H3
InChIKeyQSWALIJOQCYCQK-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 43528148) is 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is CC1CCCC(CN)(N(C)Cc2ccsc2)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is QSWALIJOQCYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12-4-3-6-14(8-12,11-15)16(2)9-13-5-7-17-10-13/h5,7,10,12H,3-4,6,8-9,11,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 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-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43528148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).