N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine

C10H22N4O2 — CID 54421923

IUPACN,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine
SMILESCC(N=O)C(C)NCCNC(C)C(C)N=O
InChIInChI=1S/C10H22N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h7-12H,5-6H2,1-4H3
InChIKeyWBKLBRWMHYKZQN-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.25
Rot. Bonds9

About N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine

N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine (PubChem CID 54421923) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine
PubChem CID54421923
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine
SMILESCC(N=O)C(C)NCCNC(C)C(C)N=O
InChIInChI=1S/C10H22N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h7-12H,5-6H2,1-4H3
InChIKeyWBKLBRWMHYKZQN-UHFFFAOYSA-N
XLogP1.25
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine (CID 54421923) is N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine is CC(N=O)C(C)NCCNC(C)C(C)N=O.
What is the InChIKey of N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine?
The InChIKey is WBKLBRWMHYKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h7-12H,5-6H2,1-4H3.
What are the key properties of N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine?
N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-nitrosobutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 54421923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).