N-ethyl-4-nitroso-N-propylbutan-1-amine

C9H20N2O — CID 143337069

IUPACN-ethyl-4-nitroso-N-propylbutan-1-amine
SMILESCCCN(CC)CCCCN=O
InChIInChI=1S/C9H20N2O/c1-3-8-11(4-2)9-6-5-7-10-12/h3-9H2,1-2H3
InChIKeyDSUQSRJLBWVUJZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.26
Rot. Bonds8

About N-ethyl-4-nitroso-N-propylbutan-1-amine

N-ethyl-4-nitroso-N-propylbutan-1-amine (PubChem CID 143337069) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-4-nitroso-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-nitroso-N-propylbutan-1-amine
PubChem CID143337069
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-4-nitroso-N-propylbutan-1-amine
SMILESCCCN(CC)CCCCN=O
InChIInChI=1S/C9H20N2O/c1-3-8-11(4-2)9-6-5-7-10-12/h3-9H2,1-2H3
InChIKeyDSUQSRJLBWVUJZ-UHFFFAOYSA-N
XLogP2.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
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-ethyl-4-nitroso-N-propylbutan-1-amine?
The IUPAC name of N-ethyl-4-nitroso-N-propylbutan-1-amine (CID 143337069) is N-ethyl-4-nitroso-N-propylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-nitroso-N-propylbutan-1-amine?
The canonical SMILES for N-ethyl-4-nitroso-N-propylbutan-1-amine is CCCN(CC)CCCCN=O.
What is the InChIKey of N-ethyl-4-nitroso-N-propylbutan-1-amine?
The InChIKey is DSUQSRJLBWVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-8-11(4-2)9-6-5-7-10-12/h3-9H2,1-2H3.
What are the key properties of N-ethyl-4-nitroso-N-propylbutan-1-amine?
N-ethyl-4-nitroso-N-propylbutan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitroso-N-propylbutan-1-amine is sourced from PubChem (CID 143337069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).