4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline

C17H30N2 — CID 62135693

IUPAC4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CNC(C)(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-7-11-19(8-2)16-10-9-15(14(3)12-16)13-18-17(4,5)6/h9-10,12,18H,7-8,11,13H2,1-6H3
InChIKeyJQPIYACKAHQLNO-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.12
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline

4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline (PubChem CID 62135693) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
PubChem CID62135693
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CNC(C)(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-7-11-19(8-2)16-10-9-15(14(3)12-16)13-18-17(4,5)6/h9-10,12,18H,7-8,11,13H2,1-6H3
InChIKeyJQPIYACKAHQLNO-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965092
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
CID 63551530
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline;(4-ethyl-2-methylphenyl)methanamine
CID 145098743
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline (CID 62135693) is 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline is CCCN(CC)c1ccc(CNC(C)(C)C)c(C)c1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline?
The InChIKey is JQPIYACKAHQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-11-19(8-2)16-10-9-15(14(3)12-16)13-18-17(4,5)6/h9-10,12,18H,7-8,11,13H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline?
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline has a molecular weight of 262.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline is sourced from PubChem (CID 62135693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).