N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine

C9H20N2O — CID 126739586

IUPACN-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine
SMILESCCN(CCN=O)CCC(C)C
InChIInChI=1S/C9H20N2O/c1-4-11(8-6-10-12)7-5-9(2)3/h9H,4-8H2,1-3H3
InChIKeyJDKYQPJICRCOOY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.12
Rot. Bonds7

About N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine

N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine (PubChem CID 126739586) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine
PubChem CID126739586
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine
SMILESCCN(CCN=O)CCC(C)C
InChIInChI=1S/C9H20N2O/c1-4-11(8-6-10-12)7-5-9(2)3/h9H,4-8H2,1-3H3
InChIKeyJDKYQPJICRCOOY-UHFFFAOYSA-N
XLogP2.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine (CID 126739586) is N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine is CCN(CCN=O)CCC(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine?
The InChIKey is JDKYQPJICRCOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11(8-6-10-12)7-5-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine?
N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine is sourced from PubChem (CID 126739586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).