N,N'-diethyl-1-nitrosoethane-1,2-diamine

C6H15N3O — CID 21404115

IUPACN,N'-diethyl-1-nitrosoethane-1,2-diamine
SMILESCCNCC(N=O)NCC
InChIInChI=1S/C6H15N3O/c1-3-7-5-6(9-10)8-4-2/h6-8H,3-5H2,1-2H3
InChIKeyCMHDLDAWZFKUMJ-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.30
Rot. Bonds6

About N,N'-diethyl-1-nitrosoethane-1,2-diamine

N,N'-diethyl-1-nitrosoethane-1,2-diamine (PubChem CID 21404115) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is N,N'-diethyl-1-nitrosoethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-1-nitrosoethane-1,2-diamine
PubChem CID21404115
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC NameN,N'-diethyl-1-nitrosoethane-1,2-diamine
SMILESCCNCC(N=O)NCC
InChIInChI=1S/C6H15N3O/c1-3-7-5-6(9-10)8-4-2/h6-8H,3-5H2,1-2H3
InChIKeyCMHDLDAWZFKUMJ-UHFFFAOYSA-N
XLogP0.30
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-1-nitrosoethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-1-nitrosoethane-1,2-diamine (CID 21404115) is N,N'-diethyl-1-nitrosoethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-1-nitrosoethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-1-nitrosoethane-1,2-diamine is CCNCC(N=O)NCC.
What is the InChIKey of N,N'-diethyl-1-nitrosoethane-1,2-diamine?
The InChIKey is CMHDLDAWZFKUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-3-7-5-6(9-10)8-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of N,N'-diethyl-1-nitrosoethane-1,2-diamine?
N,N'-diethyl-1-nitrosoethane-1,2-diamine has a molecular weight of 145.21 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-1-nitrosoethane-1,2-diamine is sourced from PubChem (CID 21404115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).