3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine

C14H23NS — CID 81398337

IUPAC3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C)(C)C1)c1cccs1
InChIInChI=1S/C14H23NS/c1-11(13-7-5-9-16-13)15-12-6-4-8-14(2,3)10-12/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3/t11-,12?/m1/s1
InChIKeyAEQRCMNLFDGFID-JHJMLUEUSA-N
MW237.41 g/mol
LogP4.37
Rot. Bonds3

About 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine

3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine (PubChem CID 81398337) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
PubChem CID81398337
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C)(C)C1)c1cccs1
InChIInChI=1S/C14H23NS/c1-11(13-7-5-9-16-13)15-12-6-4-8-14(2,3)10-12/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3/t11-,12?/m1/s1
InChIKeyAEQRCMNLFDGFID-JHJMLUEUSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28683986
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637623
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
4-[[(1S)-1-thiophen-2-ylethyl]amino]azepan-2-one
CID 81409038
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine (CID 81398337) is 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine is C[C@@H](NC1CCCC(C)(C)C1)c1cccs1.
What is the InChIKey of 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The InChIKey is AEQRCMNLFDGFID-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(13-7-5-9-16-13)15-12-6-4-8-14(2,3)10-12/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81398337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).