4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline

C17H28N2 — CID 63059830

IUPAC4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1ccc(CNC(C)(C)C)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-5-12-19(16-10-11-16)15-8-6-14(7-9-15)13-18-17(2,3)4/h6-9,16,18H,5,10-13H2,1-4H3
InChIKeyHVDGCFBLMFPZIH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.95
Rot. Bonds6

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

4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline (PubChem CID 63059830) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
PubChem CID63059830
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1ccc(CNC(C)(C)C)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-5-12-19(16-10-11-16)15-8-6-14(7-9-15)13-18-17(2,3)4/h6-9,16,18H,5,10-13H2,1-4H3
InChIKeyHVDGCFBLMFPZIH-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.95
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'}

Analyze 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
CID 63071100
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 63060237
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
N-cyclopropyl-6-[1-(ethylamino)ethyl]-N-propylpyridin-3-amine
CID 83122891
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473
4-[cyclohexyl(propyl)amino]phenol
CID 57283531
4-[(tert-butylamino)methyl]-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 81148121
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline (CID 63059830) is 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline is CCCN(c1ccc(CNC(C)(C)C)cc1)C1CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline?
The InChIKey is HVDGCFBLMFPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-12-19(16-10-11-16)15-8-6-14(7-9-15)13-18-17(2,3)4/h6-9,16,18H,5,10-13H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline?
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.95, 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-cyclopropyl-N-propylaniline is sourced from PubChem (CID 63059830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).