6-amino-3-methylnonan-5-one

C10H21NO — CID 116554552

IUPAC6-amino-3-methylnonan-5-one
SMILESCCCC(N)C(=O)CC(C)CC
InChIInChI=1S/C10H21NO/c1-4-6-9(11)10(12)7-8(3)5-2/h8-9H,4-7,11H2,1-3H3
InChIKeyBRIRBSXJMKWXSL-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds6

About 6-amino-3-methylnonan-5-one

6-amino-3-methylnonan-5-one (PubChem CID 116554552) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-amino-3-methylnonan-5-one.

Molecular Properties

Compound Name6-amino-3-methylnonan-5-one
PubChem CID116554552
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-amino-3-methylnonan-5-one
SMILESCCCC(N)C(=O)CC(C)CC
InChIInChI=1S/C10H21NO/c1-4-6-9(11)10(12)7-8(3)5-2/h8-9H,4-7,11H2,1-3H3
InChIKeyBRIRBSXJMKWXSL-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-4-methylundecan-6-one
CID 116556730
4-amino-1-methoxy-7-methyldecan-5-one
CID 116593750
4-aminoheptan-3-one;ethane
CID 143359235
4-amino-3,7-dimethylnonan-5-one
CID 116552681
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid
CID 151888138
11-amino-4,7-dimethyldodecan-6-one
CID 116574232
1,1-difluoro-4-methylheptan-2-one
CID 112574315
1-amino-4-methyl-1-phenylhexan-2-one
CID 116551142
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylnonan-5-one?
The IUPAC name of 6-amino-3-methylnonan-5-one (CID 116554552) is 6-amino-3-methylnonan-5-one.
What is the SMILES notation for 6-amino-3-methylnonan-5-one?
The canonical SMILES for 6-amino-3-methylnonan-5-one is CCCC(N)C(=O)CC(C)CC.
What is the InChIKey of 6-amino-3-methylnonan-5-one?
The InChIKey is BRIRBSXJMKWXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-9(11)10(12)7-8(3)5-2/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 6-amino-3-methylnonan-5-one?
6-amino-3-methylnonan-5-one has a molecular weight of 171.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylnonan-5-one is sourced from PubChem (CID 116554552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).