(4S)-4-amino-2-methylnonan-3-one

C10H21NO — CID 89254495

IUPAC(4S)-4-amino-2-methylnonan-3-one
SMILESCCCCC[C@H](N)C(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-9(11)10(12)8(2)3/h8-9H,4-7,11H2,1-3H3/t9-/m0/s1
InChIKeyMGWPMLCUSZAWER-VIFPVBQESA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds6

About (4S)-4-amino-2-methylnonan-3-one

(4S)-4-amino-2-methylnonan-3-one (PubChem CID 89254495) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4S)-4-amino-2-methylnonan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-2-methylnonan-3-one
PubChem CID89254495
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4S)-4-amino-2-methylnonan-3-one
SMILESCCCCC[C@H](N)C(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-9(11)10(12)8(2)3/h8-9H,4-7,11H2,1-3H3/t9-/m0/s1
InChIKeyMGWPMLCUSZAWER-VIFPVBQESA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-methyloctan-3-one;methanamine
CID 167521180
(5R)-1,5-diamino-7-methyltridecan-6-one
CID 129100220
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
2-amino-N-[1-[(2-methyl-3-oxononan-4-yl)amino]-1-oxoheptan-2-yl]heptanamide
CID 159407083
3-aminooctan-2-one;hydrochloride
CID 13478908
4-butyl-2-methyldecan-3-one
CID 130218662
(2S)-2-aminopentacosanoic acid
CID 158815459
2,4-dimethyldecan-3-one
CID 79298815
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-N-methyltetradecanamide
CID 88912425

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2-methylnonan-3-one?
The IUPAC name of (4S)-4-amino-2-methylnonan-3-one (CID 89254495) is (4S)-4-amino-2-methylnonan-3-one.
What is the SMILES notation for (4S)-4-amino-2-methylnonan-3-one?
The canonical SMILES for (4S)-4-amino-2-methylnonan-3-one is CCCCC[C@H](N)C(=O)C(C)C.
What is the InChIKey of (4S)-4-amino-2-methylnonan-3-one?
The InChIKey is MGWPMLCUSZAWER-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-9(11)10(12)8(2)3/h8-9H,4-7,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (4S)-4-amino-2-methylnonan-3-one?
(4S)-4-amino-2-methylnonan-3-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 (4S)-4-amino-2-methylnonan-3-one is sourced from PubChem (CID 89254495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).