3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline

C16H26N2 — CID 64737952

IUPAC3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline
SMILESCC1CCC(N(C)c2cccc(CN)c2)CC1C
InChIInChI=1S/C16H26N2/c1-12-7-8-16(9-13(12)2)18(3)15-6-4-5-14(10-15)11-17/h4-6,10,12-13,16H,7-9,11,17H2,1-3H3
InChIKeyRBNCNBDVOCDRGZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.41
Rot. Bonds3

About 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline

3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline (PubChem CID 64737952) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline
PubChem CID64737952
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline
SMILESCC1CCC(N(C)c2cccc(CN)c2)CC1C
InChIInChI=1S/C16H26N2/c1-12-7-8-16(9-13(12)2)18(3)15-6-4-5-14(10-15)11-17/h4-6,10,12-13,16H,7-9,11,17H2,1-3H3
InChIKeyRBNCNBDVOCDRGZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline
CID 64740354
4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine
CID 64737972
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
[3-[3-(3,4-dimethylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 64744334
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-[[(3,4-dimethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64738779
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64744330
1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
CID 114958620

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline (CID 64737952) is 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline is CC1CCC(N(C)c2cccc(CN)c2)CC1C.
What is the InChIKey of 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline?
The InChIKey is RBNCNBDVOCDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-8-16(9-13(12)2)18(3)15-6-4-5-14(10-15)11-17/h4-6,10,12-13,16H,7-9,11,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline?
3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 64737952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).