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

C10H19NO — CID 116596361

IUPAC6-(aminomethyl)-2-methyloct-1-en-4-one
SMILESC=C(C)CC(=O)CC(CC)CN
InChIInChI=1S/C10H19NO/c1-4-9(7-11)6-10(12)5-8(2)3/h9H,2,4-7,11H2,1,3H3
InChIKeyHIZKZDPJFHHQQB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds6

About 6-(aminomethyl)-2-methyloct-1-en-4-one

6-(aminomethyl)-2-methyloct-1-en-4-one (PubChem CID 116596361) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyloct-1-en-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyloct-1-en-4-one
PubChem CID116596361
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-(aminomethyl)-2-methyloct-1-en-4-one
SMILESC=C(C)CC(=O)CC(CC)CN
InChIInChI=1S/C10H19NO/c1-4-9(7-11)6-10(12)5-8(2)3/h9H,2,4-7,11H2,1,3H3
InChIKeyHIZKZDPJFHHQQB-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

6-Amino-2,4,6-trimethylhept-1-en-3-one
CID 22165045
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one
CID 87812200
3-Amino-2-methyl-5-methylidenenonan-4-one
CID 87812203
2-(Aminomethyl)-12-methylidenecyclododecan-1-one
CID 89281376
(5S)-5-amino-2,6-dimethyloct-1-en-4-one
CID 89386562
5-Amino-5-cyclohexyl-3-methylidenepentan-2-one
CID 89708564
(4S)-7-amino-4-ethenylheptan-2-one
CID 89985314
1,6-Diamino-7-methyl-3-[2-(methylamino)ethyl]oct-7-en-4-one
CID 91091090
1-Amino-7-methyloct-7-en-4-one
CID 114477870
5-Amino-2,6-dimethyloct-1-en-4-one
CID 116552850
5-Amino-7-methyl-6-methylideneoctan-2-one
CID 121258895
1-Amino-10-methyl-7-methylidene-8-propan-2-ylundecan-6-one
CID 123578990

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyloct-1-en-4-one?
The IUPAC name of 6-(aminomethyl)-2-methyloct-1-en-4-one (CID 116596361) is 6-(aminomethyl)-2-methyloct-1-en-4-one.
What is the SMILES notation for 6-(aminomethyl)-2-methyloct-1-en-4-one?
The canonical SMILES for 6-(aminomethyl)-2-methyloct-1-en-4-one is C=C(C)CC(=O)CC(CC)CN.
What is the InChIKey of 6-(aminomethyl)-2-methyloct-1-en-4-one?
The InChIKey is HIZKZDPJFHHQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(7-11)6-10(12)5-8(2)3/h9H,2,4-7,11H2,1,3H3.
What are the key properties of 6-(aminomethyl)-2-methyloct-1-en-4-one?
6-(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 6-(aminomethyl)-2-methyloct-1-en-4-one is sourced from PubChem (CID 116596361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).