3-(methylamino)nonan-2-one

C10H21NO — CID 21024660

IUPAC3-(methylamino)nonan-2-one
SMILESCCCCCCC(NC)C(C)=O
InChIInChI=1S/C10H21NO/c1-4-5-6-7-8-10(11-3)9(2)12/h10-11H,4-8H2,1-3H3
InChIKeyVBMBBFTZECDVPE-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.13
Rot. Bonds7

About 3-(methylamino)nonan-2-one

3-(methylamino)nonan-2-one (PubChem CID 21024660) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(methylamino)nonan-2-one.

Molecular Properties

Compound Name3-(methylamino)nonan-2-one
PubChem CID21024660
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(methylamino)nonan-2-one
SMILESCCCCCCC(NC)C(C)=O
InChIInChI=1S/C10H21NO/c1-4-5-6-7-8-10(11-3)9(2)12/h10-11H,4-8H2,1-3H3
InChIKeyVBMBBFTZECDVPE-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 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 ≤ 52.13
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

3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
(3R)-3-methyloctan-2-one
CID 158725350
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
CID 171042672
CID 171042672
propyl 2-(methylamino)hexadecanoate
CID 174448846
(3S)-7-(diethylamino)-3-(methylamino)heptan-2-one
CID 170287078
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
2-[16-(methylamino)-17-oxooctadecyl]guanidine
CID 149014155

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)nonan-2-one?
The IUPAC name of 3-(methylamino)nonan-2-one (CID 21024660) is 3-(methylamino)nonan-2-one.
What is the SMILES notation for 3-(methylamino)nonan-2-one?
The canonical SMILES for 3-(methylamino)nonan-2-one is CCCCCCC(NC)C(C)=O.
What is the InChIKey of 3-(methylamino)nonan-2-one?
The InChIKey is VBMBBFTZECDVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-8-10(11-3)9(2)12/h10-11H,4-8H2,1-3H3.
What are the key properties of 3-(methylamino)nonan-2-one?
3-(methylamino)nonan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)nonan-2-one is sourced from PubChem (CID 21024660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).