3-amino-2-methyl-7-methylidenenonan-5-one

C11H21NO — CID 116606461

IUPAC3-amino-2-methyl-7-methylidenenonan-5-one
SMILESC=C(CC)CC(=O)CC(N)C(C)C
InChIInChI=1S/C11H21NO/c1-5-9(4)6-10(13)7-11(12)8(2)3/h8,11H,4-7,12H2,1-3H3
InChIKeyQCMMIEYKSLWUBZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-2-methyl-7-methylidenenonan-5-one

3-amino-2-methyl-7-methylidenenonan-5-one (PubChem CID 116606461) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-amino-2-methyl-7-methylidenenonan-5-one.

Molecular Properties

Compound Name3-amino-2-methyl-7-methylidenenonan-5-one
PubChem CID116606461
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-amino-2-methyl-7-methylidenenonan-5-one
SMILESC=C(CC)CC(=O)CC(N)C(C)C
InChIInChI=1S/C11H21NO/c1-5-9(4)6-10(13)7-11(12)8(2)3/h8,11H,4-7,12H2,1-3H3
InChIKeyQCMMIEYKSLWUBZ-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-amino-6-methylideneoctan-4-one
CID 116556046
2-methyl-5-methylideneheptan-3-amine
CID 66044107
3-(aminomethyl)-7-methylidenenonan-5-one
CID 116596430
2,5-dimethylhex-5-en-3-amine
CID 79177176
2-methoxy-7-methylidenenonan-5-one
CID 105113355
1-(ethylamino)-4-methylidenehexan-2-one
CID 116562696
2-methoxy-5-methylideneheptan-3-amine
CID 79616919
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
CID 116573788
3-(aminomethyl)-6-methylideneoctan-4-one
CID 116575301
acetic acid;methyl (3S)-3-amino-4-methylpentanoate
CID 119081529
2-ethoxy-5-methylideneheptan-3-one
CID 66046478

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-7-methylidenenonan-5-one?
The IUPAC name of 3-amino-2-methyl-7-methylidenenonan-5-one (CID 116606461) is 3-amino-2-methyl-7-methylidenenonan-5-one.
What is the SMILES notation for 3-amino-2-methyl-7-methylidenenonan-5-one?
The canonical SMILES for 3-amino-2-methyl-7-methylidenenonan-5-one is C=C(CC)CC(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-2-methyl-7-methylidenenonan-5-one?
The InChIKey is QCMMIEYKSLWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-9(4)6-10(13)7-11(12)8(2)3/h8,11H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-2-methyl-7-methylidenenonan-5-one?
3-amino-2-methyl-7-methylidenenonan-5-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-7-methylidenenonan-5-one is sourced from PubChem (CID 116606461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).