1-cyclopropyl-2-(methylamino)nonan-1-one

C13H25NO — CID 143142039

IUPAC1-cyclopropyl-2-(methylamino)nonan-1-one
SMILESCCCCCCCC(NC)C(=O)C1CC1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-12(14-2)13(15)11-9-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyIIQUWZCJVNYOHL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds9

About 1-cyclopropyl-2-(methylamino)nonan-1-one

1-cyclopropyl-2-(methylamino)nonan-1-one (PubChem CID 143142039) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-(methylamino)nonan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-(methylamino)nonan-1-one
PubChem CID143142039
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopropyl-2-(methylamino)nonan-1-one
SMILESCCCCCCCC(NC)C(=O)C1CC1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-12(14-2)13(15)11-9-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyIIQUWZCJVNYOHL-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
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-(methylamino)nonan-2-one
CID 21024660
1-cyclopropyl-2-ethyloctan-1-one
CID 175800062
propyl 2-(methylamino)hexadecanoate
CID 174448846
2-amino-1-cyclopropylhexan-1-one
CID 116556854
N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide
CID 129189639
1,2-dicyclohexylhexadecan-1-one
CID 142760088
2-(cyclopropylamino)heptanoic acid
CID 43754511
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
N-[5-(methylamino)-6-oxooctyl]hexadecanamide
CID 164856658
4-O-(8-methylnonyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983845
4-O-(9-methyldecyl) 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 66984273
4-O-(9-methyldecyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983804

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(methylamino)nonan-1-one?
The IUPAC name of 1-cyclopropyl-2-(methylamino)nonan-1-one (CID 143142039) is 1-cyclopropyl-2-(methylamino)nonan-1-one.
What is the SMILES notation for 1-cyclopropyl-2-(methylamino)nonan-1-one?
The canonical SMILES for 1-cyclopropyl-2-(methylamino)nonan-1-one is CCCCCCCC(NC)C(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(methylamino)nonan-1-one?
The InChIKey is IIQUWZCJVNYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-8-12(14-2)13(15)11-9-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(methylamino)nonan-1-one?
1-cyclopropyl-2-(methylamino)nonan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(methylamino)nonan-1-one is sourced from PubChem (CID 143142039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).