5-(aminomethyl)-2-methyloct-1-en-4-one

C10H19NO — CID 116574621

IUPAC5-(aminomethyl)-2-methyloct-1-en-4-one
SMILESC=C(C)CC(=O)C(CN)CCC
InChIInChI=1S/C10H19NO/c1-4-5-9(7-11)10(12)6-8(2)3/h9H,2,4-7,11H2,1,3H3
InChIKeyDUFBQTDBYJQLEO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds6

About 5-(aminomethyl)-2-methyloct-1-en-4-one

5-(aminomethyl)-2-methyloct-1-en-4-one (PubChem CID 116574621) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyloct-1-en-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyloct-1-en-4-one
PubChem CID116574621
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(aminomethyl)-2-methyloct-1-en-4-one
SMILESC=C(C)CC(=O)C(CN)CCC
InChIInChI=1S/C10H19NO/c1-4-5-9(7-11)10(12)6-8(2)3/h9H,2,4-7,11H2,1,3H3
InChIKeyDUFBQTDBYJQLEO-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyloct-1-en-4-one
CID 115780450
methyl 2-(aminomethyl)pentanoate
CID 65220226
3-(aminomethyl)-6-methylideneoctan-4-one
CID 116575301
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
4-(aminomethyl)hept-1-yn-3-one
CID 116574541
5-(aminomethyl)-1-phenyloctan-4-one
CID 116574452
5-(aminomethyl)non-8-en-4-one
CID 134382036
3-(aminomethyl)-1-(2-methylphenyl)hexan-2-one
CID 116574564
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188010
6-(aminomethyl)-2-methyloct-1-en-4-one
CID 116596361
3-(aminomethyl)-1-(2-fluorophenyl)hexan-2-one
CID 116574562
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyloct-1-en-4-one?
The IUPAC name of 5-(aminomethyl)-2-methyloct-1-en-4-one (CID 116574621) is 5-(aminomethyl)-2-methyloct-1-en-4-one.
What is the SMILES notation for 5-(aminomethyl)-2-methyloct-1-en-4-one?
The canonical SMILES for 5-(aminomethyl)-2-methyloct-1-en-4-one is C=C(C)CC(=O)C(CN)CCC.
What is the InChIKey of 5-(aminomethyl)-2-methyloct-1-en-4-one?
The InChIKey is DUFBQTDBYJQLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-9(7-11)10(12)6-8(2)3/h9H,2,4-7,11H2,1,3H3.
What are the key properties of 5-(aminomethyl)-2-methyloct-1-en-4-one?
5-(aminomethyl)-2-methyloct-1-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyloct-1-en-4-one is sourced from PubChem (CID 116574621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).