2-methyl-1-nitrosobut-1-en-1-amine

C5H10N2O — CID 174983371

IUPAC2-methyl-1-nitrosobut-1-en-1-amine
SMILESCCC(C)=C(N)N=O
InChIInChI=1S/C5H10N2O/c1-3-4(2)5(6)7-8/h3,6H2,1-2H3
InChIKeyAQPLICHCPCQFMD-UHFFFAOYSA-N
MW114.15 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-1-nitrosobut-1-en-1-amine

2-methyl-1-nitrosobut-1-en-1-amine (PubChem CID 174983371) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-methyl-1-nitrosobut-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-nitrosobut-1-en-1-amine
PubChem CID174983371
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-methyl-1-nitrosobut-1-en-1-amine
SMILESCCC(C)=C(N)N=O
InChIInChI=1S/C5H10N2O/c1-3-4(2)5(6)7-8/h3,6H2,1-2H3
InChIKeyAQPLICHCPCQFMD-UHFFFAOYSA-N
XLogP1.35
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-methyl-2-nitrosopent-2-ene
CID 123456220
(E)-4-methylhex-3-en-3-amine
CID 129020883
2,3-dimethylpent-2-ene;hydrazine
CID 87640391
(Z)-2-methyl-1-methylsulfanylbut-1-en-1-amine
CID 173476232
acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
CID 169178718
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide
CID 143941275
methane;propanamide
CID 160666730
2,3-dimethylpent-2-ene;propane
CID 162031516
azane;2,3-dimethylpent-2-ene
CID 87285665
(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine
CID 177018872
2-ethyl-3-methylbut-2-enamide
CID 55290055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitrosobut-1-en-1-amine?
The IUPAC name of 2-methyl-1-nitrosobut-1-en-1-amine (CID 174983371) is 2-methyl-1-nitrosobut-1-en-1-amine.
What is the SMILES notation for 2-methyl-1-nitrosobut-1-en-1-amine?
The canonical SMILES for 2-methyl-1-nitrosobut-1-en-1-amine is CCC(C)=C(N)N=O.
What is the InChIKey of 2-methyl-1-nitrosobut-1-en-1-amine?
The InChIKey is AQPLICHCPCQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-4(2)5(6)7-8/h3,6H2,1-2H3.
What are the key properties of 2-methyl-1-nitrosobut-1-en-1-amine?
2-methyl-1-nitrosobut-1-en-1-amine has a molecular weight of 114.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitrosobut-1-en-1-amine is sourced from PubChem (CID 174983371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).