N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine

C19H34N2 — CID 79480923

IUPACN'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCCC(C)CN(CC)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H34N2/c1-7-16(3)15-21(8-2)18(14-20-19(4,5)6)17-12-10-9-11-13-17/h9-13,16,18,20H,7-8,14-15H2,1-6H3
InChIKeyBWTVRJWJSZTLSO-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.48
Rot. Bonds8

About N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine

N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine (PubChem CID 79480923) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
PubChem CID79480923
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCCC(C)CN(CC)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H34N2/c1-7-16(3)15-21(8-2)18(14-20-19(4,5)6)17-12-10-9-11-13-17/h9-13,16,18,20H,7-8,14-15H2,1-6H3
InChIKeyBWTVRJWJSZTLSO-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine (CID 79480923) is N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine is CCC(C)CN(CC)C(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine?
The InChIKey is BWTVRJWJSZTLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-16(3)15-21(8-2)18(14-20-19(4,5)6)17-12-10-9-11-13-17/h9-13,16,18,20H,7-8,14-15H2,1-6H3.
What are the key properties of N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine?
N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.48, 8 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-N-(2-methylbutyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 79480923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).