2-amino-7-methyloctan-4-one

C9H19NO — CID 116555796

IUPAC2-amino-7-methyloctan-4-one
SMILESCC(C)CCC(=O)CC(C)N
InChIInChI=1S/C9H19NO/c1-7(2)4-5-9(11)6-8(3)10/h7-8H,4-6,10H2,1-3H3
InChIKeyCKAICSURMSQDIB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-7-methyloctan-4-one

2-amino-7-methyloctan-4-one (PubChem CID 116555796) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-amino-7-methyloctan-4-one.

Molecular Properties

Compound Name2-amino-7-methyloctan-4-one
PubChem CID116555796
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-amino-7-methyloctan-4-one
SMILESCC(C)CCC(=O)CC(C)N
InChIInChI=1S/C9H19NO/c1-7(2)4-5-9(11)6-8(3)10/h7-8H,4-6,10H2,1-3H3
InChIKeyCKAICSURMSQDIB-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminooctan-4-one
CID 116555826
2,9-dimethyldecane-4,6-dione
CID 152780076
(4S)-4-amino-1-chloropentan-2-one
CID 174896033
2-(ethylamino)-7-methyloctan-4-one
CID 116566607
3-amino-9-methyldecan-5-one
CID 116609077
6-amino-1-ethylsulfonylheptan-4-one
CID 116555907
5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
CID 175146377
2,8,9-trimethyldecan-5-one
CID 162772851
magnesium;hydride;4-methylpentanoic acid
CID 174689724
2,6-dimethylheptan-4-one;5-methylhexan-2-one
CID 88697321
8-hydroxy-2,11-dimethyldodecan-5-one
CID 54387052
1-bromo-7-methyloctan-4-one
CID 106798810

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyloctan-4-one?
The IUPAC name of 2-amino-7-methyloctan-4-one (CID 116555796) is 2-amino-7-methyloctan-4-one.
What is the SMILES notation for 2-amino-7-methyloctan-4-one?
The canonical SMILES for 2-amino-7-methyloctan-4-one is CC(C)CCC(=O)CC(C)N.
What is the InChIKey of 2-amino-7-methyloctan-4-one?
The InChIKey is CKAICSURMSQDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)4-5-9(11)6-8(3)10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-7-methyloctan-4-one?
2-amino-7-methyloctan-4-one has a molecular weight of 157.26 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyloctan-4-one is sourced from PubChem (CID 116555796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).