1-methoxy-4-methylpentan-2-imine

C7H15NO — CID 169266102

IUPAC1-methoxy-4-methylpentan-2-imine
SMILES[H]/N=C(\COC)CC(C)C
InChIInChI=1S/C7H15NO/c1-6(2)4-7(8)5-9-3/h6,8H,4-5H2,1-3H3/b8-7-
InChIKeyFHOQUINCUHBDFU-FPLPWBNLSA-N
MW129.20 g/mol
LogP1.70
Rot. Bonds4

About 1-methoxy-4-methylpentan-2-imine

1-methoxy-4-methylpentan-2-imine (PubChem CID 169266102) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methoxy-4-methylpentan-2-imine.

Molecular Properties

Compound Name1-methoxy-4-methylpentan-2-imine
PubChem CID169266102
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methoxy-4-methylpentan-2-imine
SMILES[H]/N=C(\COC)CC(C)C
InChIInChI=1S/C7H15NO/c1-6(2)4-7(8)5-9-3/h6,8H,4-5H2,1-3H3/b8-7-
InChIKeyFHOQUINCUHBDFU-FPLPWBNLSA-N
XLogP1.70
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl4-methylpentanimidate
CID 13627494
1-Methoxy-2-methylpentan-3-imine
CID 123231606
2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
1-Methoxypentane-2,4-diimine
CID 138709464
2-Propan-2-yloxetan-3-imine
CID 163879147
5-Methyloxan-3-imine
CID 163984205
2-Methyl-1-propoxypentan-3-imine
CID 167092066
(4S)-4-methyloxan-3-imine
CID 169254327
3-Methyloxan-4-imine
CID 169641042
(4S)-4-(methoxymethyl)hexan-3-imine
CID 174509406
5-Methoxy-3-methylpentan-2-imine
CID 174547621
4-(Methoxymethyl)hexan-3-imine
CID 174619959

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylpentan-2-imine?
The IUPAC name of 1-methoxy-4-methylpentan-2-imine (CID 169266102) is 1-methoxy-4-methylpentan-2-imine.
What is the SMILES notation for 1-methoxy-4-methylpentan-2-imine?
The canonical SMILES for 1-methoxy-4-methylpentan-2-imine is [H]/N=C(\COC)CC(C)C.
What is the InChIKey of 1-methoxy-4-methylpentan-2-imine?
The InChIKey is FHOQUINCUHBDFU-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)4-7(8)5-9-3/h6,8H,4-5H2,1-3H3/b8-7-.
What are the key properties of 1-methoxy-4-methylpentan-2-imine?
1-methoxy-4-methylpentan-2-imine has a molecular weight of 129.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylpentan-2-imine is sourced from PubChem (CID 169266102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).