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

C5H12N2O — CID 137332364

IUPACN-(2-nitrosoethyl)propan-2-amine
SMILESCC(C)NCCN=O
InChIInChI=1S/C5H12N2O/c1-5(2)6-3-4-7-8/h5-6H,3-4H2,1-2H3
InChIKeyYUIXSMQVPATWOS-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.75
Rot. Bonds4

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

N-(2-nitrosoethyl)propan-2-amine (PubChem CID 137332364) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-(2-nitrosoethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-nitrosoethyl)propan-2-amine
PubChem CID137332364
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-(2-nitrosoethyl)propan-2-amine
SMILESCC(C)NCCN=O
InChIInChI=1S/C5H12N2O/c1-5(2)6-3-4-7-8/h5-6H,3-4H2,1-2H3
InChIKeyYUIXSMQVPATWOS-UHFFFAOYSA-N
XLogP0.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.75
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 N-(2-nitrosoethyl)propan-2-amine?
The IUPAC name of N-(2-nitrosoethyl)propan-2-amine (CID 137332364) is N-(2-nitrosoethyl)propan-2-amine.
What is the SMILES notation for N-(2-nitrosoethyl)propan-2-amine?
The canonical SMILES for N-(2-nitrosoethyl)propan-2-amine is CC(C)NCCN=O.
What is the InChIKey of N-(2-nitrosoethyl)propan-2-amine?
The InChIKey is YUIXSMQVPATWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2)6-3-4-7-8/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(2-nitrosoethyl)propan-2-amine?
N-(2-nitrosoethyl)propan-2-amine has a molecular weight of 116.16 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrosoethyl)propan-2-amine is sourced from PubChem (CID 137332364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).