1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C15H24N2S — CID 115707288

IUPAC1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)c1cncs1
InChIInChI=1S/C15H24N2S/c1-10(12-8-16-9-18-12)17-13-7-11-5-6-15(13,4)14(11,2)3/h8-11,13,17H,5-7H2,1-4H3
InChIKeyNBXFFGNEWDUCJR-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.01
Rot. Bonds3

About 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115707288) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115707288
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)c1cncs1
InChIInChI=1S/C15H24N2S/c1-10(12-8-16-9-18-12)17-13-7-11-5-6-15(13,4)14(11,2)3/h8-11,13,17H,5-7H2,1-4H3
InChIKeyNBXFFGNEWDUCJR-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 43223472
1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 63990852
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
2-[1-(1,3-thiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 115720070
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
2-ethyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 103783780
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 79236127
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 115712862
(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
CID 114986971
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43781099
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 115707288) is 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1(C)C2(C)C)c1cncs1.
What is the InChIKey of 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is NBXFFGNEWDUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10(12-8-16-9-18-12)17-13-7-11-5-6-15(13,4)14(11,2)3/h8-11,13,17H,5-7H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115707288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).