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

C11H26N2 — CID 3461159

IUPAC2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine
SMILESCC(C)NC(NC(C)C)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-8(2)12-10(11(5,6)7)13-9(3)4/h8-10,12-13H,1-7H3
InChIKeyOUIYACKPNAKNKN-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.35
Rot. Bonds4

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

2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine (PubChem CID 3461159) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine
PubChem CID3461159
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine
SMILESCC(C)NC(NC(C)C)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-8(2)12-10(11(5,6)7)13-9(3)4/h8-10,12-13H,1-7H3
InChIKeyOUIYACKPNAKNKN-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
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 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine?
The IUPAC name of 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine (CID 3461159) is 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine?
The canonical SMILES for 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine is CC(C)NC(NC(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine?
The InChIKey is OUIYACKPNAKNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-8(2)12-10(11(5,6)7)13-9(3)4/h8-10,12-13H,1-7H3.
What are the key properties of 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine?
2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine is sourced from PubChem (CID 3461159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).