1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C17H27NS — CID 63990852

IUPAC1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccsc1C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H27NS/c1-11-7-9-19-15(11)12(2)18-14-10-13-6-8-17(14,5)16(13,3)4/h7,9,12-14,18H,6,8,10H2,1-5H3
InChIKeySLHJBJXUABKWII-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.92
Rot. Bonds3

About 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 63990852) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID63990852
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccsc1C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H27NS/c1-11-7-9-19-15(11)12(2)18-14-10-13-6-8-17(14,5)16(13,3)4/h7,9,12-14,18H,6,8,10H2,1-5H3
InChIKeySLHJBJXUABKWII-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 63990852) is 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1ccsc1C(C)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SLHJBJXUABKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-11-7-9-19-15(11)12(2)18-14-10-13-6-8-17(14,5)16(13,3)4/h7,9,12-14,18H,6,8,10H2,1-5H3.
What are the key properties of 1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.92, 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-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63990852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).