5-amino-3-(methylamino)pentan-2-one;methane

C10H30N2O — CID 157156675

IUPAC5-amino-3-(methylamino)pentan-2-one;methane
SMILESC.C.C.C.CNC(CCN)C(C)=O
InChIInChI=1S/C6H14N2O.4CH4/c1-5(9)6(8-2)3-4-7;;;;/h6,8H,3-4,7H2,1-2H3;4*1H4
InChIKeyALWSZBBGUXYXAN-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-3-(methylamino)pentan-2-one;methane

5-amino-3-(methylamino)pentan-2-one;methane (PubChem CID 157156675) has the molecular formula C10H30N2O and a molecular weight of 194.36 g/mol. Its IUPAC name is 5-amino-3-(methylamino)pentan-2-one;methane.

Molecular Properties

Compound Name5-amino-3-(methylamino)pentan-2-one;methane
PubChem CID157156675
Molecular FormulaC10H30N2O
Molecular Weight194.36 g/mol
Exact Mass194.24
IUPAC Name5-amino-3-(methylamino)pentan-2-one;methane
SMILESC.C.C.C.CNC(CCN)C(C)=O
InChIInChI=1S/C6H14N2O.4CH4/c1-5(9)6(8-2)3-4-7;;;;/h6,8H,3-4,7H2,1-2H3;4*1H4
InChIKeyALWSZBBGUXYXAN-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
CID 171042672
CID 171042672
CID 162056062
CID 162056062
(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243
(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
CID 167006096
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174
(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
6-hydroxy-3-(methylamino)hept-6-en-2-one
CID 58339043
(3R)-4-(2-aminoethylsulfanyl)-3-(methylamino)butan-2-one
CID 58619794
2,5-bis(methylamino)hexanediamide
CID 66221520
(2S)-4-amino-2-methylbutanamide
CID 87412339

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(methylamino)pentan-2-one;methane?
The IUPAC name of 5-amino-3-(methylamino)pentan-2-one;methane (CID 157156675) is 5-amino-3-(methylamino)pentan-2-one;methane.
What is the SMILES notation for 5-amino-3-(methylamino)pentan-2-one;methane?
The canonical SMILES for 5-amino-3-(methylamino)pentan-2-one;methane is C.C.C.C.CNC(CCN)C(C)=O.
What is the InChIKey of 5-amino-3-(methylamino)pentan-2-one;methane?
The InChIKey is ALWSZBBGUXYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.4CH4/c1-5(9)6(8-2)3-4-7;;;;/h6,8H,3-4,7H2,1-2H3;4*1H4.
What are the key properties of 5-amino-3-(methylamino)pentan-2-one;methane?
5-amino-3-(methylamino)pentan-2-one;methane has a molecular weight of 194.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(methylamino)pentan-2-one;methane is sourced from PubChem (CID 157156675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).