2-methyl-N-(2-nitrosoethyl)propan-2-amine

C6H14N2O — CID 53437777

IUPAC2-methyl-N-(2-nitrosoethyl)propan-2-amine
SMILESCC(C)(C)NCCN=O
InChIInChI=1S/C6H14N2O/c1-6(2,3)7-4-5-8-9/h7H,4-5H2,1-3H3
InChIKeyRVIYUGNWKCORPO-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds3

About 2-methyl-N-(2-nitrosoethyl)propan-2-amine

2-methyl-N-(2-nitrosoethyl)propan-2-amine (PubChem CID 53437777) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methyl-N-(2-nitrosoethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-nitrosoethyl)propan-2-amine
PubChem CID53437777
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-methyl-N-(2-nitrosoethyl)propan-2-amine
SMILESCC(C)(C)NCCN=O
InChIInChI=1S/C6H14N2O/c1-6(2,3)7-4-5-8-9/h7H,4-5H2,1-3H3
InChIKeyRVIYUGNWKCORPO-UHFFFAOYSA-N
XLogP1.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-nitrosoethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(2-nitrosoethyl)propan-2-amine (CID 53437777) is 2-methyl-N-(2-nitrosoethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-nitrosoethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(2-nitrosoethyl)propan-2-amine is CC(C)(C)NCCN=O.
What is the InChIKey of 2-methyl-N-(2-nitrosoethyl)propan-2-amine?
The InChIKey is RVIYUGNWKCORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2,3)7-4-5-8-9/h7H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-(2-nitrosoethyl)propan-2-amine?
2-methyl-N-(2-nitrosoethyl)propan-2-amine has a molecular weight of 130.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-nitrosoethyl)propan-2-amine is sourced from PubChem (CID 53437777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).