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

C13H22N2 — CID 43569588

IUPAC4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1ccc(CN)cc1
InChIInChI=1S/C13H22N2/c1-10(2)11(3)15(4)13-7-5-12(9-14)6-8-13/h5-8,10-11H,9,14H2,1-4H3
InChIKeyNOVHSLTZEHUDAO-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.63
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline

4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43569588) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43569588
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1ccc(CN)cc1
InChIInChI=1S/C13H22N2/c1-10(2)11(3)15(4)13-7-5-12(9-14)6-8-13/h5-8,10-11H,9,14H2,1-4H3
InChIKeyNOVHSLTZEHUDAO-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-3-amine
CID 115486870
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 102813478
N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 43569586
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
[4-(3-methylbutan-2-yl)phenyl]methanamine
CID 115015008
4-(bromomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 107082142
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 43569588) is 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)N(C)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is NOVHSLTZEHUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)11(3)15(4)13-7-5-12(9-14)6-8-13/h5-8,10-11H,9,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline?
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 206.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43569588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).