1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol

C15H23NOS — CID 14559512

IUPAC1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2NCc1cccs1
InChIInChI=1S/C15H23NOS/c1-14(2)11-6-7-15(14,3)13(17)12(11)16-9-10-5-4-8-18-10/h4-5,8,11-13,16-17H,6-7,9H2,1-3H3
InChIKeyGRBNDZMCTIFESK-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.02
Rot. Bonds3

About 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol

1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol (PubChem CID 14559512) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
PubChem CID14559512
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2NCc1cccs1
InChIInChI=1S/C15H23NOS/c1-14(2)11-6-7-15(14,3)13(17)12(11)16-9-10-5-4-8-18-10/h4-5,8,11-13,16-17H,6-7,9H2,1-3H3
InChIKeyGRBNDZMCTIFESK-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 118200045
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 43769320
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol (CID 14559512) is 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)C2NCc1cccs1.
What is the InChIKey of 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is GRBNDZMCTIFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-14(2)11-6-7-15(14,3)13(17)12(11)16-9-10-5-4-8-18-10/h4-5,8,11-13,16-17H,6-7,9H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 265.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 14559512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).