4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline

C15H26N2 — CID 62129455

IUPAC4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
SMILESCc1cc(N(C)C(C)C(C)(C)C)ccc1CN
InChIInChI=1S/C15H26N2/c1-11-9-14(8-7-13(11)10-16)17(6)12(2)15(3,4)5/h7-9,12H,10,16H2,1-6H3
InChIKeyVMIIXPQIDNPIAP-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.32
Rot. Bonds3

About 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline

4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline (PubChem CID 62129455) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
PubChem CID62129455
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
SMILESCc1cc(N(C)C(C)C(C)(C)C)ccc1CN
InChIInChI=1S/C15H26N2/c1-11-9-14(8-7-13(11)10-16)17(6)12(2)15(3,4)5/h7-9,12H,10,16H2,1-6H3
InChIKeyVMIIXPQIDNPIAP-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.32
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

4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
CID 63551530
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 43569586
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677519
2-[4-(aminomethyl)-3-methyl-N-propan-2-ylanilino]acetamide
CID 62130970
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 102813782
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline (CID 62129455) is 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline is Cc1cc(N(C)C(C)C(C)(C)C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline?
The InChIKey is VMIIXPQIDNPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-9-14(8-7-13(11)10-16)17(6)12(2)15(3,4)5/h7-9,12H,10,16H2,1-6H3.
What are the key properties of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline?
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline is sourced from PubChem (CID 62129455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).