2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine

C11H26N2 — CID 12707287

IUPAC2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)NCC(C)(C)CNC(C)C
InChIInChI=1S/C11H26N2/c1-9(2)12-7-11(5,6)8-13-10(3)4/h9-10,12-13H,7-8H2,1-6H3
InChIKeyAJTSZGQKWXIHKS-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds6

About 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine

2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine (PubChem CID 12707287) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine
PubChem CID12707287
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)NCC(C)(C)CNC(C)C
InChIInChI=1S/C11H26N2/c1-9(2)12-7-11(5,6)8-13-10(3)4/h9-10,12-13H,7-8H2,1-6H3
InChIKeyAJTSZGQKWXIHKS-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine (CID 12707287) is 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine is CC(C)NCC(C)(C)CNC(C)C.
What is the InChIKey of 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
The InChIKey is AJTSZGQKWXIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-9(2)12-7-11(5,6)8-13-10(3)4/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 12707287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).