1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine

C7H16N4O3 — CID 163634211

IUPAC1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine
SMILESCCC(NC)C(N=O)OC(CN)N=O
InChIInChI=1S/C7H16N4O3/c1-3-5(9-2)7(11-13)14-6(4-8)10-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyHYSMWVZAEOPUGT-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.14
Rot. Bonds8

About 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine

1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine (PubChem CID 163634211) has the molecular formula C7H16N4O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine.

Molecular Properties

Compound Name1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine
PubChem CID163634211
Molecular FormulaC7H16N4O3
Molecular Weight204.23 g/mol
Exact Mass204.12
IUPAC Name1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine
SMILESCCC(NC)C(N=O)OC(CN)N=O
InChIInChI=1S/C7H16N4O3/c1-3-5(9-2)7(11-13)14-6(4-8)10-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyHYSMWVZAEOPUGT-UHFFFAOYSA-N
XLogP0.14
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine?
The IUPAC name of 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine (CID 163634211) is 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine.
What is the SMILES notation for 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine?
The canonical SMILES for 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine is CCC(NC)C(N=O)OC(CN)N=O.
What is the InChIKey of 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine?
The InChIKey is HYSMWVZAEOPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3/c1-3-5(9-2)7(11-13)14-6(4-8)10-12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine?
1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine has a molecular weight of 204.23 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine is sourced from PubChem (CID 163634211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).