1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione

C10H20N2O2 — CID 163797367

IUPAC1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione
SMILESCCC(=O)C(CN)CC(=O)C(C)CN
InChIInChI=1S/C10H20N2O2/c1-3-9(13)8(6-12)4-10(14)7(2)5-11/h7-8H,3-6,11-12H2,1-2H3
InChIKeyPNHFTKQXNCOTLY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds7

About 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione

1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione (PubChem CID 163797367) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione.

Molecular Properties

Compound Name1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione
PubChem CID163797367
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione
SMILESCCC(=O)C(CN)CC(=O)C(C)CN
InChIInChI=1S/C10H20N2O2/c1-3-9(13)8(6-12)4-10(14)7(2)5-11/h7-8H,3-6,11-12H2,1-2H3
InChIKeyPNHFTKQXNCOTLY-UHFFFAOYSA-N
XLogP0.09
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-methylhexan-3-one
CID 116564408
(2S)-1,2-diaminopentan-3-one
CID 88560983
(4R)-4-methylheptan-3-one
CID 12696684
5-propanoylnonane-3,7-dione
CID 58659698
2-aminopentan-3-one
CID 10986165
methyl 2-(aminomethyl)pentanoate
CID 65220226
4-methyloctane-3,6-dione
CID 14711976
4-(aminomethyl)-2,7-dimethylnonan-5-one
CID 116597857
N-(2-aminoethyl)-3-methyl-4-oxohexanamide
CID 145348693
2,5-dimethyloctan-4-one
CID 88817499
3-(aminomethyl)-6-methylideneoctan-4-one
CID 116575301
propyl 3-amino-2-methylpropanoate
CID 54192704

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione?
The IUPAC name of 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione (CID 163797367) is 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione.
What is the SMILES notation for 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione?
The canonical SMILES for 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione is CCC(=O)C(CN)CC(=O)C(C)CN.
What is the InChIKey of 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione?
The InChIKey is PNHFTKQXNCOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(13)8(6-12)4-10(14)7(2)5-11/h7-8H,3-6,11-12H2,1-2H3.
What are the key properties of 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione?
1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione has a molecular weight of 200.28 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione is sourced from PubChem (CID 163797367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).