2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine

C15H27N — CID 107004762

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1CC1(C)C
InChIInChI=1S/C15H27N/c1-15(2)9-13(15)14(16-3)8-12-7-10-4-5-11(12)6-10/h10-14,16H,4-9H2,1-3H3
InChIKeyYYXCHLJGKMPUCV-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine (PubChem CID 107004762) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
PubChem CID107004762
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1CC1(C)C
InChIInChI=1S/C15H27N/c1-15(2)9-13(15)14(16-3)8-12-7-10-4-5-11(12)6-10/h10-14,16H,4-9H2,1-3H3
InChIKeyYYXCHLJGKMPUCV-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105341600
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168005
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974246
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 105017677
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129
[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255972
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine (CID 107004762) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine is CNC(CC1CC2CCC1C2)C1CC1(C)C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The InChIKey is YYXCHLJGKMPUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-15(2)9-13(15)14(16-3)8-12-7-10-4-5-11(12)6-10/h10-14,16H,4-9H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine has a molecular weight of 221.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine is sourced from PubChem (CID 107004762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).