N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine

C17H30N2 — CID 62437274

IUPACN-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC(C)CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-7-19(16-10-8-14(2)9-11-16)13-15(3)12-18-17(4,5)6/h8-11,15,18H,7,12-13H2,1-6H3
InChIKeyAQQXUZPVTSOQBD-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.85
Rot. Bonds6

About N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine

N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62437274) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID62437274
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC(C)CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-7-19(16-10-8-14(2)9-11-16)13-15(3)12-18-17(4,5)6/h8-11,15,18H,7,12-13H2,1-6H3
InChIKeyAQQXUZPVTSOQBD-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437096
1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol
CID 113317416
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)heptane-1,6-diamine
CID 65296088
1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66453210
4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453264
2-[(N-ethyl-4-methylanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367853
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
CID 63494801
1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 107505630
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine (CID 62437274) is N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine is CCN(CC(C)CNC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is AQQXUZPVTSOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-19(16-10-8-14(2)9-11-16)13-15(3)12-18-17(4,5)6/h8-11,15,18H,7,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62437274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).