5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine

C11H21NO — CID 169113962

IUPAC5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine
SMILESC=C(CCOC)/C(C)=N/CC(C)C
InChIInChI=1S/C11H21NO/c1-9(2)8-12-11(4)10(3)6-7-13-5/h9H,3,6-8H2,1-2,4-5H3/b12-11+
InChIKeyRMKGTLFAOQMKSU-VAWYXSNFSA-N
MW183.29 g/mol
LogP2.70
Rot. Bonds6

About 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine

5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine (PubChem CID 169113962) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine.

Molecular Properties

Compound Name5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine
PubChem CID169113962
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine
SMILESC=C(CCOC)/C(C)=N/CC(C)C
InChIInChI=1S/C11H21NO/c1-9(2)8-12-11(4)10(3)6-7-13-5/h9H,3,6-8H2,1-2,4-5H3/b12-11+
InChIKeyRMKGTLFAOQMKSU-VAWYXSNFSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylimino)propanoic acid
CID 45086648
1-methoxy-N-(2-methylpropyl)propan-2-imine
CID 14242576
1-methoxy-6-methylhept-6-en-3-one
CID 114473504
5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)
CID 91201755
2-methyl-N'-(2-methylpropyl)prop-2-enimidamide
CID 90961538
1-(2-methoxyethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 62362563
(4Z,8Z)-4,5,8,9-tetrafluoro-1,12-dimethoxy-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 145420672
2,2,2-trifluoroethyl 4-methoxy-2-methylidenebutanoate
CID 87174824
5-methoxy-2,4-dimethylpent-1-en-3-one
CID 20663748
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
3-methoxy-N-oxopropanamide
CID 89105235

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine?
The IUPAC name of 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine (CID 169113962) is 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine.
What is the SMILES notation for 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine?
The canonical SMILES for 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine is C=C(CCOC)/C(C)=N/CC(C)C.
What is the InChIKey of 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine?
The InChIKey is RMKGTLFAOQMKSU-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-12-11(4)10(3)6-7-13-5/h9H,3,6-8H2,1-2,4-5H3/b12-11+.
What are the key properties of 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine?
5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine has a molecular weight of 183.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine is sourced from PubChem (CID 169113962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).