N,N'-ditert-butyl-2-methylpropane-1,3-diamine

C12H28N2 — CID 10488274

IUPACN,N'-ditert-butyl-2-methylpropane-1,3-diamine
SMILESCC(CNC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(8-13-11(2,3)4)9-14-12(5,6)7/h10,13-14H,8-9H2,1-7H3
InChIKeyOHZGURUEOZAHTL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.40
Rot. Bonds4

About N,N'-ditert-butyl-2-methylpropane-1,3-diamine

N,N'-ditert-butyl-2-methylpropane-1,3-diamine (PubChem CID 10488274) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N'-ditert-butyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-ditert-butyl-2-methylpropane-1,3-diamine
PubChem CID10488274
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N'-ditert-butyl-2-methylpropane-1,3-diamine
SMILESCC(CNC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(8-13-11(2,3)4)9-14-12(5,6)7/h10,13-14H,8-9H2,1-7H3
InChIKeyOHZGURUEOZAHTL-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-2-methylpropane-1,3-diamine?
The IUPAC name of N,N'-ditert-butyl-2-methylpropane-1,3-diamine (CID 10488274) is N,N'-ditert-butyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-ditert-butyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-ditert-butyl-2-methylpropane-1,3-diamine is CC(CNC(C)(C)C)CNC(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-2-methylpropane-1,3-diamine?
The InChIKey is OHZGURUEOZAHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(8-13-11(2,3)4)9-14-12(5,6)7/h10,13-14H,8-9H2,1-7H3.
What are the key properties of N,N'-ditert-butyl-2-methylpropane-1,3-diamine?
N,N'-ditert-butyl-2-methylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 10488274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).