(E)-N'-tert-butyl-N-methylethene-1,2-diamine

C7H16N2 — CID 102011692

IUPAC(E)-N'-tert-butyl-N-methylethene-1,2-diamine
SMILESCN/C=C/NC(C)(C)C
InChIInChI=1S/C7H16N2/c1-7(2,3)9-6-5-8-4/h5-6,8-9H,1-4H3/b6-5+
InChIKeyWCWWXHWVYXFPLK-AATRIKPKSA-N
MW128.22 g/mol
LogP1.07
Rot. Bonds2

About (E)-N'-tert-butyl-N-methylethene-1,2-diamine

(E)-N'-tert-butyl-N-methylethene-1,2-diamine (PubChem CID 102011692) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-N'-tert-butyl-N-methylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-tert-butyl-N-methylethene-1,2-diamine
PubChem CID102011692
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-N'-tert-butyl-N-methylethene-1,2-diamine
SMILESCN/C=C/NC(C)(C)C
InChIInChI=1S/C7H16N2/c1-7(2,3)9-6-5-8-4/h5-6,8-9H,1-4H3/b6-5+
InChIKeyWCWWXHWVYXFPLK-AATRIKPKSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-tert-butyl-N-methylethene-1,2-diamine?
The IUPAC name of (E)-N'-tert-butyl-N-methylethene-1,2-diamine (CID 102011692) is (E)-N'-tert-butyl-N-methylethene-1,2-diamine.
What is the SMILES notation for (E)-N'-tert-butyl-N-methylethene-1,2-diamine?
The canonical SMILES for (E)-N'-tert-butyl-N-methylethene-1,2-diamine is CN/C=C/NC(C)(C)C.
What is the InChIKey of (E)-N'-tert-butyl-N-methylethene-1,2-diamine?
The InChIKey is WCWWXHWVYXFPLK-AATRIKPKSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2,3)9-6-5-8-4/h5-6,8-9H,1-4H3/b6-5+.
What are the key properties of (E)-N'-tert-butyl-N-methylethene-1,2-diamine?
(E)-N'-tert-butyl-N-methylethene-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-tert-butyl-N-methylethene-1,2-diamine is sourced from PubChem (CID 102011692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).