2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline

C17H26N2 — CID 107105713

IUPAC2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
SMILESCc1cccc(CN)c1N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H26N2/c1-12-4-3-5-15(10-18)17(12)19(2)11-16-9-13-6-7-14(16)8-13/h3-5,13-14,16H,6-11,18H2,1-2H3
InChIKeyQZJVVAFFAJSEPP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.33
Rot. Bonds4

About 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline

2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline (PubChem CID 107105713) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
PubChem CID107105713
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
SMILESCc1cccc(CN)c1N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H26N2/c1-12-4-3-5-15(10-18)17(12)19(2)11-16-9-13-6-7-14(16)8-13/h3-5,13-14,16H,6-11,18H2,1-2H3
InChIKeyQZJVVAFFAJSEPP-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
CID 107532386
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80652293
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
CID 63962824
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63681873
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
4-(2-aminopropyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63794333

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline (CID 107105713) is 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline is Cc1cccc(CN)c1N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline?
The InChIKey is QZJVVAFFAJSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-4-3-5-15(10-18)17(12)19(2)11-16-9-13-6-7-14(16)8-13/h3-5,13-14,16H,6-11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline?
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline has a molecular weight of 258.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline is sourced from PubChem (CID 107105713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).