2-nitroso-N-propan-2-ylpropan-1-amine

C6H14N2O — CID 22213580

IUPAC2-nitroso-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)N=O
InChIInChI=1S/C6H14N2O/c1-5(2)7-4-6(3)8-9/h5-7H,4H2,1-3H3
InChIKeyQZGAUBDVAKJFCQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds4

About 2-nitroso-N-propan-2-ylpropan-1-amine

2-nitroso-N-propan-2-ylpropan-1-amine (PubChem CID 22213580) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-nitroso-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-nitroso-N-propan-2-ylpropan-1-amine
PubChem CID22213580
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-nitroso-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)N=O
InChIInChI=1S/C6H14N2O/c1-5(2)7-4-6(3)8-9/h5-7H,4H2,1-3H3
InChIKeyQZGAUBDVAKJFCQ-UHFFFAOYSA-N
XLogP1.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-nitroso-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-nitroso-N-propan-2-ylpropan-1-amine (CID 22213580) is 2-nitroso-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-nitroso-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-nitroso-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)N=O.
What is the InChIKey of 2-nitroso-N-propan-2-ylpropan-1-amine?
The InChIKey is QZGAUBDVAKJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)7-4-6(3)8-9/h5-7H,4H2,1-3H3.
What are the key properties of 2-nitroso-N-propan-2-ylpropan-1-amine?
2-nitroso-N-propan-2-ylpropan-1-amine has a molecular weight of 130.19 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 22213580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).