N,N-diethyl-3-nitrosobutan-1-amine

C8H18N2O — CID 91317398

IUPACN,N-diethyl-3-nitrosobutan-1-amine
SMILESCCN(CC)CCC(C)N=O
InChIInChI=1S/C8H18N2O/c1-4-10(5-2)7-6-8(3)9-11/h8H,4-7H2,1-3H3
InChIKeyFUHGODXPVMHMSG-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.87
Rot. Bonds6

About N,N-diethyl-3-nitrosobutan-1-amine

N,N-diethyl-3-nitrosobutan-1-amine (PubChem CID 91317398) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N,N-diethyl-3-nitrosobutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-nitrosobutan-1-amine
PubChem CID91317398
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN,N-diethyl-3-nitrosobutan-1-amine
SMILESCCN(CC)CCC(C)N=O
InChIInChI=1S/C8H18N2O/c1-4-10(5-2)7-6-8(3)9-11/h8H,4-7H2,1-3H3
InChIKeyFUHGODXPVMHMSG-UHFFFAOYSA-N
XLogP1.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-nitrosobutan-1-amine?
The IUPAC name of N,N-diethyl-3-nitrosobutan-1-amine (CID 91317398) is N,N-diethyl-3-nitrosobutan-1-amine.
What is the SMILES notation for N,N-diethyl-3-nitrosobutan-1-amine?
The canonical SMILES for N,N-diethyl-3-nitrosobutan-1-amine is CCN(CC)CCC(C)N=O.
What is the InChIKey of N,N-diethyl-3-nitrosobutan-1-amine?
The InChIKey is FUHGODXPVMHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-10(5-2)7-6-8(3)9-11/h8H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-3-nitrosobutan-1-amine?
N,N-diethyl-3-nitrosobutan-1-amine has a molecular weight of 158.24 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-nitrosobutan-1-amine is sourced from PubChem (CID 91317398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).