2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C18H29NS — CID 63775207

IUPAC2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCc2cccs2)CC2CCC1C2
InChIInChI=1S/C18H29NS/c1-17(2,3)19-13-18(9-8-16-5-4-10-20-16)12-14-6-7-15(18)11-14/h4-5,10,14-15,19H,6-9,11-13H2,1-3H3
InChIKeyFMTNWHWGDFDUMJ-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.88
Rot. Bonds5

About 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63775207) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63775207
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCc2cccs2)CC2CCC1C2
InChIInChI=1S/C18H29NS/c1-17(2,3)19-13-18(9-8-16-5-4-10-20-16)12-14-6-7-15(18)11-14/h4-5,10,14-15,19H,6-9,11-13H2,1-3H3
InChIKeyFMTNWHWGDFDUMJ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020002
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
2-methyl-N-[[2-[(2-methyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 107053119
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 116523635
2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
CID 65304602
N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022477
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103014457
[2-[(3-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62738893
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
CID 113410415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63775207) is 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)(C)NCC1(CCc2cccs2)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is FMTNWHWGDFDUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-17(2,3)19-13-18(9-8-16-5-4-10-20-16)12-14-6-7-15(18)11-14/h4-5,10,14-15,19H,6-9,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 291.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63775207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).