3-(aminomethyl)-7-methylidenenonan-5-one

C11H21NO — CID 116596430

IUPAC3-(aminomethyl)-7-methylidenenonan-5-one
SMILESC=C(CC)CC(=O)CC(CC)CN
InChIInChI=1S/C11H21NO/c1-4-9(3)6-11(13)7-10(5-2)8-12/h10H,3-8,12H2,1-2H3
InChIKeyYZLBKLMVXVIQKW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds7

About 3-(aminomethyl)-7-methylidenenonan-5-one

3-(aminomethyl)-7-methylidenenonan-5-one (PubChem CID 116596430) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(aminomethyl)-7-methylidenenonan-5-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-methylidenenonan-5-one
PubChem CID116596430
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(aminomethyl)-7-methylidenenonan-5-one
SMILESC=C(CC)CC(=O)CC(CC)CN
InChIInChI=1S/C11H21NO/c1-4-9(3)6-11(13)7-10(5-2)8-12/h10H,3-8,12H2,1-2H3
InChIKeyYZLBKLMVXVIQKW-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
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 3-(aminomethyl)-7-methylidenenonan-5-one?
The IUPAC name of 3-(aminomethyl)-7-methylidenenonan-5-one (CID 116596430) is 3-(aminomethyl)-7-methylidenenonan-5-one.
What is the SMILES notation for 3-(aminomethyl)-7-methylidenenonan-5-one?
The canonical SMILES for 3-(aminomethyl)-7-methylidenenonan-5-one is C=C(CC)CC(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-7-methylidenenonan-5-one?
The InChIKey is YZLBKLMVXVIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(3)6-11(13)7-10(5-2)8-12/h10H,3-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-7-methylidenenonan-5-one?
3-(aminomethyl)-7-methylidenenonan-5-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-methylidenenonan-5-one is sourced from PubChem (CID 116596430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).