N'-tert-butyl-N,N'-dimethylmethanediamine

C7H18N2 — CID 115226614

IUPACN'-tert-butyl-N,N'-dimethylmethanediamine
SMILESCNCN(C)C(C)(C)C
InChIInChI=1S/C7H18N2/c1-7(2,3)9(5)6-8-4/h8H,6H2,1-5H3
InChIKeyYUPKCWCXLMIQET-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.89
Rot. Bonds2

About N'-tert-butyl-N,N'-dimethylmethanediamine

N'-tert-butyl-N,N'-dimethylmethanediamine (PubChem CID 115226614) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-tert-butyl-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-tert-butyl-N,N'-dimethylmethanediamine
PubChem CID115226614
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-tert-butyl-N,N'-dimethylmethanediamine
SMILESCNCN(C)C(C)(C)C
InChIInChI=1S/C7H18N2/c1-7(2,3)9(5)6-8-4/h8H,6H2,1-5H3
InChIKeyYUPKCWCXLMIQET-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N,N'-dimethylmethanediamine?
The IUPAC name of N'-tert-butyl-N,N'-dimethylmethanediamine (CID 115226614) is N'-tert-butyl-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-tert-butyl-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-tert-butyl-N,N'-dimethylmethanediamine is CNCN(C)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N,N'-dimethylmethanediamine?
The InChIKey is YUPKCWCXLMIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(2,3)9(5)6-8-4/h8H,6H2,1-5H3.
What are the key properties of N'-tert-butyl-N,N'-dimethylmethanediamine?
N'-tert-butyl-N,N'-dimethylmethanediamine has a molecular weight of 130.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).