4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline

C16H26N2 — CID 63060237

IUPAC4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
SMILESCN(CC1CC1)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)17-11-13-7-9-15(10-8-13)18(4)12-14-5-6-14/h7-10,14,17H,5-6,11-12H2,1-4H3
InChIKeyJEHJYNARGZURRG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.42
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline

4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline (PubChem CID 63060237) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
PubChem CID63060237
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
SMILESCN(CC1CC1)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)17-11-13-7-9-15(10-8-13)18(4)12-14-5-6-14/h7-10,14,17H,5-6,11-12H2,1-4H3
InChIKeyJEHJYNARGZURRG-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.42
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-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713655
N-[[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63657541
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090
5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62282283
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 63657128
N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63711740
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
CID 63059830
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline (CID 63060237) is 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline is CN(CC1CC1)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline?
The InChIKey is JEHJYNARGZURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)17-11-13-7-9-15(10-8-13)18(4)12-14-5-6-14/h7-10,14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline?
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.42, 5 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-(cyclopropylmethyl)-N-methylaniline is sourced from PubChem (CID 63060237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).