3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline

C12H20N2 — CID 126999262

IUPAC3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1cccc(CN)c1
InChIInChI=1S/C12H20N2/c1-9(2)10(3)14-12-6-4-5-11(7-12)8-13/h4-7,9-10,14H,8,13H2,1-3H3
InChIKeyPXWGGZBGDCYVCE-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.60
Rot. Bonds4

About 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline

3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline (PubChem CID 126999262) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
PubChem CID126999262
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1cccc(CN)c1
InChIInChI=1S/C12H20N2/c1-9(2)10(3)14-12-6-4-5-11(7-12)8-13/h4-7,9-10,14H,8,13H2,1-3H3
InChIKeyPXWGGZBGDCYVCE-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
2-[3-(aminomethyl)anilino]propanoic acid
CID 174745837
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
1-(3-ethylanilino)ethanol
CID 174601913
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline (CID 126999262) is 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline?
The InChIKey is PXWGGZBGDCYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)10(3)14-12-6-4-5-11(7-12)8-13/h4-7,9-10,14H,8,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline?
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline has a molecular weight of 192.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 126999262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).