N-butoxypropan-2-imine

C7H15NO — CID 22964096

IUPACN-butoxypropan-2-imine
SMILESCCCCON=C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-6-9-8-7(2)3/h4-6H2,1-3H3
InChIKeyVYKTXMCTSBEJTL-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.20
Rot. Bonds4

About N-butoxypropan-2-imine

N-butoxypropan-2-imine (PubChem CID 22964096) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-butoxypropan-2-imine.

Molecular Properties

Compound NameN-butoxypropan-2-imine
PubChem CID22964096
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-butoxypropan-2-imine
SMILESCCCCON=C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-6-9-8-7(2)3/h4-6H2,1-3H3
InChIKeyVYKTXMCTSBEJTL-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Propanone, o-methyloxime
CID 137909
O-Ethylacetoxime
CID 14177406
Acetone, O-propyloxime
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O-vinylacetoxime
CID 4258291
Acetone, O-isopropyloxime
CID 12696236
4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
CID 12307804
Methylisoxazoline
CID 12959090
N-(2,2,3-trifluorobutoxy)propan-2-imine
CID 170063019
pentan-3-one O-ethyloxime
CID 20642399
butan-2-one O-ethyloxime
CID 22087388
CID 154707172
CID 154707172
2-Methyl-1-prop-2-ynyloxy-1-azaprop-1-ene
CID 4060118

Frequently Asked Questions

What is the IUPAC name of N-butoxypropan-2-imine?
The IUPAC name of N-butoxypropan-2-imine (CID 22964096) is N-butoxypropan-2-imine.
What is the SMILES notation for N-butoxypropan-2-imine?
The canonical SMILES for N-butoxypropan-2-imine is CCCCON=C(C)C.
What is the InChIKey of N-butoxypropan-2-imine?
The InChIKey is VYKTXMCTSBEJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-9-8-7(2)3/h4-6H2,1-3H3.
What are the key properties of N-butoxypropan-2-imine?
N-butoxypropan-2-imine has a molecular weight of 129.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxypropan-2-imine is sourced from PubChem (CID 22964096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).