4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine

C16H27NS — CID 28544170

IUPAC4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCC(C(C)(C)C)CC1)c1cccs1
InChIInChI=1S/C16H27NS/c1-12(15-6-5-11-18-15)17-14-9-7-13(8-10-14)16(2,3)4/h5-6,11-14,17H,7-10H2,1-4H3/t12-,13?,14?/m1/s1
InChIKeyKQOBIMCBHKPYTG-IYXRBSQSSA-N
MW265.47 g/mol
LogP5.00
Rot. Bonds3

About 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine

4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine (PubChem CID 28544170) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
PubChem CID28544170
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCC(C(C)(C)C)CC1)c1cccs1
InChIInChI=1S/C16H27NS/c1-12(15-6-5-11-18-15)17-14-9-7-13(8-10-14)16(2,3)4/h5-6,11-14,17H,7-10H2,1-4H3/t12-,13?,14?/m1/s1
InChIKeyKQOBIMCBHKPYTG-IYXRBSQSSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 43081859
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28683986

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine (CID 28544170) is 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine is C[C@@H](NC1CCC(C(C)(C)C)CC1)c1cccs1.
What is the InChIKey of 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The InChIKey is KQOBIMCBHKPYTG-IYXRBSQSSA-N. The full InChI is InChI=1S/C16H27NS/c1-12(15-6-5-11-18-15)17-14-9-7-13(8-10-14)16(2,3)4/h5-6,11-14,17H,7-10H2,1-4H3/t12-,13?,14?/m1/s1.
What are the key properties of 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 28544170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).