9-amino-7-methylnonan-4-one

C10H21NO — CID 116581538

IUPAC9-amino-7-methylnonan-4-one
SMILESCCCC(=O)CCC(C)CCN
InChIInChI=1S/C10H21NO/c1-3-4-10(12)6-5-9(2)7-8-11/h9H,3-8,11H2,1-2H3
InChIKeyLKCUKRVEPCAUPO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds7

About 9-amino-7-methylnonan-4-one

9-amino-7-methylnonan-4-one (PubChem CID 116581538) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 9-amino-7-methylnonan-4-one.

Molecular Properties

Compound Name9-amino-7-methylnonan-4-one
PubChem CID116581538
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name9-amino-7-methylnonan-4-one
SMILESCCCC(=O)CCC(C)CCN
InChIInChI=1S/C10H21NO/c1-3-4-10(12)6-5-9(2)7-8-11/h9H,3-8,11H2,1-2H3
InChIKeyLKCUKRVEPCAUPO-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-amino-3-methyloctadecan-6-one
CID 116581699
3-methylheptan-1-amine;propan-2-one
CID 145353822
(6R)-6-methylnonan-3-one
CID 11805013
1-amino-2-methyltetradecan-5-one
CID 116607429
7-ethylnonan-4-one
CID 537776
8-aminooctan-4-one
CID 25202394
1-aminohexan-3-one;carbon dioxide
CID 158553440
2-methyl-5-oxooctanal
CID 155026119
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
CID 116581614
8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
6-amino-1-(4-bromo-1-propylpyrazol-5-yl)-4-methylhexan-1-one
CID 114669755

Frequently Asked Questions

What is the IUPAC name of 9-amino-7-methylnonan-4-one?
The IUPAC name of 9-amino-7-methylnonan-4-one (CID 116581538) is 9-amino-7-methylnonan-4-one.
What is the SMILES notation for 9-amino-7-methylnonan-4-one?
The canonical SMILES for 9-amino-7-methylnonan-4-one is CCCC(=O)CCC(C)CCN.
What is the InChIKey of 9-amino-7-methylnonan-4-one?
The InChIKey is LKCUKRVEPCAUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-10(12)6-5-9(2)7-8-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 9-amino-7-methylnonan-4-one?
9-amino-7-methylnonan-4-one has a molecular weight of 171.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-methylnonan-4-one is sourced from PubChem (CID 116581538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).