1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine

C16H28N2 — CID 62424673

IUPAC1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CC)c1ccccc1
InChIInChI=1S/C16H28N2/c1-6-14(13-17-16(3,4)5)18(7-2)15-11-9-8-10-12-15/h8-12,14,17H,6-7,13H2,1-5H3
InChIKeyOFAIABMBTFZYFT-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.68
Rot. Bonds6

About 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine

1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine (PubChem CID 62424673) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
PubChem CID62424673
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CC)c1ccccc1
InChIInChI=1S/C16H28N2/c1-6-14(13-17-16(3,4)5)18(7-2)15-11-9-8-10-12-15/h8-12,14,17H,6-7,13H2,1-5H3
InChIKeyOFAIABMBTFZYFT-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine (CID 62424673) is 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine is CCC(CNC(C)(C)C)N(CC)c1ccccc1.
What is the InChIKey of 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine?
The InChIKey is OFAIABMBTFZYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-14(13-17-16(3,4)5)18(7-2)15-11-9-8-10-12-15/h8-12,14,17H,6-7,13H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine?
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine is sourced from PubChem (CID 62424673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).