N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine

C12H28N2 — CID 86242166

IUPACN,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-11(2,3)13(7)9-10-14(8)12(4,5)6/h9-10H2,1-8H3
InChIKeyQHZRPKNAGRHSJC-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds3

About N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine

N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 86242166) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine
PubChem CID86242166
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-11(2,3)13(7)9-10-14(8)12(4,5)6/h9-10H2,1-8H3
InChIKeyQHZRPKNAGRHSJC-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Diethyl tert-butylamine
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(2-Aminoethyl)DI-tert-butyl)amine
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N,N,N',N'-tetratert-butylethane-1,2-diamine
CID 20161954
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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine (CID 86242166) is N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is QHZRPKNAGRHSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2,3)13(7)9-10-14(8)12(4,5)6/h9-10H2,1-8H3.
What are the key properties of N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine?
N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 86242166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).