2-amino-6-methylideneoctan-4-one

C9H17NO — CID 116556046

IUPAC2-amino-6-methylideneoctan-4-one
SMILESC=C(CC)CC(=O)CC(C)N
InChIInChI=1S/C9H17NO/c1-4-7(2)5-9(11)6-8(3)10/h8H,2,4-6,10H2,1,3H3
InChIKeyMRCOPRLVNBRLSS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds5

About 2-amino-6-methylideneoctan-4-one

2-amino-6-methylideneoctan-4-one (PubChem CID 116556046) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-6-methylideneoctan-4-one.

Molecular Properties

Compound Name2-amino-6-methylideneoctan-4-one
PubChem CID116556046
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-amino-6-methylideneoctan-4-one
SMILESC=C(CC)CC(=O)CC(C)N
InChIInChI=1S/C9H17NO/c1-4-7(2)5-9(11)6-8(3)10/h8H,2,4-6,10H2,1,3H3
InChIKeyMRCOPRLVNBRLSS-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
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

3-amino-2-methyl-7-methylidenenonan-5-one
CID 116606461
3-(aminomethyl)-7-methylidenenonan-5-one
CID 116596430
2-methoxy-7-methylidenenonan-5-one
CID 105113355
(4S)-4-amino-1-chloropentan-2-one
CID 174896033
2-methyl-5-methylideneheptan-3-amine
CID 66044107
2-aminooctan-4-one
CID 116555826
1-(ethylamino)-4-methylidenehexan-2-one
CID 116562696
3-(aminomethyl)-6-methylideneoctan-4-one
CID 116575301
2-ethoxy-5-methylideneheptan-3-one
CID 66046478
1-(tert-butylamino)-4-methylidenehexan-2-one
CID 116589016
2-amino-7-methyloctan-4-one
CID 116555796
4-aminopent-1-en-2-ol;ethane
CID 144955296

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylideneoctan-4-one?
The IUPAC name of 2-amino-6-methylideneoctan-4-one (CID 116556046) is 2-amino-6-methylideneoctan-4-one.
What is the SMILES notation for 2-amino-6-methylideneoctan-4-one?
The canonical SMILES for 2-amino-6-methylideneoctan-4-one is C=C(CC)CC(=O)CC(C)N.
What is the InChIKey of 2-amino-6-methylideneoctan-4-one?
The InChIKey is MRCOPRLVNBRLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7(2)5-9(11)6-8(3)10/h8H,2,4-6,10H2,1,3H3.
What are the key properties of 2-amino-6-methylideneoctan-4-one?
2-amino-6-methylideneoctan-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylideneoctan-4-one is sourced from PubChem (CID 116556046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).