2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide

C9H21N3 — CID 101496676

IUPAC2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide
SMILESCNC/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)11-9(6-10-5)12-8(3)4/h7-8,10H,6H2,1-5H3,(H,11,12)
InChIKeyYTKIUPANKLNFNO-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.01
Rot. Bonds4

About 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide

2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide (PubChem CID 101496676) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide
PubChem CID101496676
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide
SMILESCNC/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)11-9(6-10-5)12-8(3)4/h7-8,10H,6H2,1-5H3,(H,11,12)
InChIKeyYTKIUPANKLNFNO-UHFFFAOYSA-N
XLogP1.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide?
The IUPAC name of 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide (CID 101496676) is 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide.
What is the SMILES notation for 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide?
The canonical SMILES for 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide is CNC/C(=N\C(C)C)NC(C)C.
What is the InChIKey of 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide?
The InChIKey is YTKIUPANKLNFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)11-9(6-10-5)12-8(3)4/h7-8,10H,6H2,1-5H3,(H,11,12).
What are the key properties of 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide?
2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide is sourced from PubChem (CID 101496676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).