1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine

C16H25NS — CID 43223472

IUPAC1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)c1cccs1
InChIInChI=1S/C16H25NS/c1-11(13-6-5-9-18-13)17-14-10-12-7-8-16(14,4)15(12,2)3/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3
InChIKeySONJRYZVMYQZJJ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.61
Rot. Bonds3

About 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 43223472) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID43223472
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)c1cccs1
InChIInChI=1S/C16H25NS/c1-11(13-6-5-9-18-13)17-14-10-12-7-8-16(14,4)15(12,2)3/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3
InChIKeySONJRYZVMYQZJJ-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 63990852
1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115707288
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051
(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
CID 114986971
2,2,5,5-tetramethyl-N-(1-thiophen-2-ylethyl)oxolan-3-amine
CID 79917629
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 79236127
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 43223472) is 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1(C)C2(C)C)c1cccs1.
What is the InChIKey of 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SONJRYZVMYQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-11(13-6-5-9-18-13)17-14-10-12-7-8-16(14,4)15(12,2)3/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43223472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).