N-methyl-1-nitrosobutan-1-amine

C5H12N2O — CID 21316013

IUPACN-methyl-1-nitrosobutan-1-amine
SMILESCCCC(N=O)NC
InChIInChI=1S/C5H12N2O/c1-3-4-5(6-2)7-8/h5-6H,3-4H2,1-2H3
InChIKeyDFIPMIXMCWTLRN-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.10
Rot. Bonds4

About N-methyl-1-nitrosobutan-1-amine

N-methyl-1-nitrosobutan-1-amine (PubChem CID 21316013) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-methyl-1-nitrosobutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-nitrosobutan-1-amine
PubChem CID21316013
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-methyl-1-nitrosobutan-1-amine
SMILESCCCC(N=O)NC
InChIInChI=1S/C5H12N2O/c1-3-4-5(6-2)7-8/h5-6H,3-4H2,1-2H3
InChIKeyDFIPMIXMCWTLRN-UHFFFAOYSA-N
XLogP1.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-nitrosobutan-1-amine?
The IUPAC name of N-methyl-1-nitrosobutan-1-amine (CID 21316013) is N-methyl-1-nitrosobutan-1-amine.
What is the SMILES notation for N-methyl-1-nitrosobutan-1-amine?
The canonical SMILES for N-methyl-1-nitrosobutan-1-amine is CCCC(N=O)NC.
What is the InChIKey of N-methyl-1-nitrosobutan-1-amine?
The InChIKey is DFIPMIXMCWTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-4-5(6-2)7-8/h5-6H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-nitrosobutan-1-amine?
N-methyl-1-nitrosobutan-1-amine has a molecular weight of 116.16 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-nitrosobutan-1-amine is sourced from PubChem (CID 21316013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).