4-amino-2-methyloctan-3-one;methanamine

C10H24N2O — CID 167521180

IUPAC4-amino-2-methyloctan-3-one;methanamine
SMILESCCCCC(N)C(=O)C(C)C.CN
InChIInChI=1S/C9H19NO.CH5N/c1-4-5-6-8(10)9(11)7(2)3;1-2/h7-8H,4-6,10H2,1-3H3;2H2,1H3
InChIKeyXOPAULUKHSPDSL-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.30
Rot. Bonds5

About 4-amino-2-methyloctan-3-one;methanamine

4-amino-2-methyloctan-3-one;methanamine (PubChem CID 167521180) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-amino-2-methyloctan-3-one;methanamine.

Molecular Properties

Compound Name4-amino-2-methyloctan-3-one;methanamine
PubChem CID167521180
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-amino-2-methyloctan-3-one;methanamine
SMILESCCCCC(N)C(=O)C(C)C.CN
InChIInChI=1S/C9H19NO.CH5N/c1-4-5-6-8(10)9(11)7(2)3;1-2/h7-8H,4-6,10H2,1-3H3;2H2,1H3
InChIKeyXOPAULUKHSPDSL-UHFFFAOYSA-N
XLogP1.30
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-2-methylnonan-3-one
CID 89254495
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
4-butyl-2-methyloctan-3-one
CID 171426152
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
bis(hexan-2-amine);oxalic acid
CID 175216358
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
2-[[(2S)-2-aminohexanoyl]amino]-3-hydroxybutanoic acid
CID 107144699
4-amino-2,8-dimethylnonane-3,7-dione
CID 90394699
4-butyl-2-methyldecan-3-one
CID 130218662
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
ethyl 2-aminohexanoate;hydrochloride
CID 18387178

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyloctan-3-one;methanamine?
The IUPAC name of 4-amino-2-methyloctan-3-one;methanamine (CID 167521180) is 4-amino-2-methyloctan-3-one;methanamine.
What is the SMILES notation for 4-amino-2-methyloctan-3-one;methanamine?
The canonical SMILES for 4-amino-2-methyloctan-3-one;methanamine is CCCCC(N)C(=O)C(C)C.CN.
What is the InChIKey of 4-amino-2-methyloctan-3-one;methanamine?
The InChIKey is XOPAULUKHSPDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.CH5N/c1-4-5-6-8(10)9(11)7(2)3;1-2/h7-8H,4-6,10H2,1-3H3;2H2,1H3.
What are the key properties of 4-amino-2-methyloctan-3-one;methanamine?
4-amino-2-methyloctan-3-one;methanamine has a molecular weight of 188.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyloctan-3-one;methanamine is sourced from PubChem (CID 167521180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).