N,N,N',N',2,2-hexamethylpropanediamide

C9H18N2O2 — CID 15790038

IUPACN,N,N',N',2,2-hexamethylpropanediamide
SMILESCN(C)C(=O)C(C)(C)C(=O)N(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2,7(12)10(3)4)8(13)11(5)6/h1-6H3
InChIKeyAPGZSGPCBJTUSR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.19
Rot. Bonds2

About N,N,N',N',2,2-hexamethylpropanediamide

N,N,N',N',2,2-hexamethylpropanediamide (PubChem CID 15790038) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N,N,N',N',2,2-hexamethylpropanediamide.

Molecular Properties

Compound NameN,N,N',N',2,2-hexamethylpropanediamide
PubChem CID15790038
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN,N,N',N',2,2-hexamethylpropanediamide
SMILESCN(C)C(=O)C(C)(C)C(=O)N(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2,7(12)10(3)4)8(13)11(5)6/h1-6H3
InChIKeyAPGZSGPCBJTUSR-UHFFFAOYSA-N
XLogP0.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N',2,2-hexamethylpropanediamide?
The IUPAC name of N,N,N',N',2,2-hexamethylpropanediamide (CID 15790038) is N,N,N',N',2,2-hexamethylpropanediamide.
What is the SMILES notation for N,N,N',N',2,2-hexamethylpropanediamide?
The canonical SMILES for N,N,N',N',2,2-hexamethylpropanediamide is CN(C)C(=O)C(C)(C)C(=O)N(C)C.
What is the InChIKey of N,N,N',N',2,2-hexamethylpropanediamide?
The InChIKey is APGZSGPCBJTUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,7(12)10(3)4)8(13)11(5)6/h1-6H3.
What are the key properties of N,N,N',N',2,2-hexamethylpropanediamide?
N,N,N',N',2,2-hexamethylpropanediamide has a molecular weight of 186.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N',2,2-hexamethylpropanediamide is sourced from PubChem (CID 15790038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).