1-N'-tert-butyl-1-N-methylethene-1,1-diamine

C7H16N2 — CID 88940438

IUPAC1-N'-tert-butyl-1-N-methylethene-1,1-diamine
SMILESC=C(NC)NC(C)(C)C
InChIInChI=1S/C7H16N2/c1-6(8-5)9-7(2,3)4/h8-9H,1H2,2-5H3
InChIKeyQURWOLIDSJXFFC-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.07
Rot. Bonds2

About 1-N'-tert-butyl-1-N-methylethene-1,1-diamine

1-N'-tert-butyl-1-N-methylethene-1,1-diamine (PubChem CID 88940438) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-methylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-methylethene-1,1-diamine
PubChem CID88940438
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-N'-tert-butyl-1-N-methylethene-1,1-diamine
SMILESC=C(NC)NC(C)(C)C
InChIInChI=1S/C7H16N2/c1-6(8-5)9-7(2,3)4/h8-9H,1H2,2-5H3
InChIKeyQURWOLIDSJXFFC-UHFFFAOYSA-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 1-N'-tert-butyl-1-N-methylethene-1,1-diamine?
The IUPAC name of 1-N'-tert-butyl-1-N-methylethene-1,1-diamine (CID 88940438) is 1-N'-tert-butyl-1-N-methylethene-1,1-diamine.
What is the SMILES notation for 1-N'-tert-butyl-1-N-methylethene-1,1-diamine?
The canonical SMILES for 1-N'-tert-butyl-1-N-methylethene-1,1-diamine is C=C(NC)NC(C)(C)C.
What is the InChIKey of 1-N'-tert-butyl-1-N-methylethene-1,1-diamine?
The InChIKey is QURWOLIDSJXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(8-5)9-7(2,3)4/h8-9H,1H2,2-5H3.
What are the key properties of 1-N'-tert-butyl-1-N-methylethene-1,1-diamine?
1-N'-tert-butyl-1-N-methylethene-1,1-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 1-N'-tert-butyl-1-N-methylethene-1,1-diamine is sourced from PubChem (CID 88940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).