N-prop-2-enoxypentan-3-imine

C8H15NO — CID 174974673

IUPACN-prop-2-enoxypentan-3-imine
SMILESC=CCON=C(CC)CC
InChIInChI=1S/C8H15NO/c1-4-7-10-9-8(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyXOPNVXWWQNNSEQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds5

About N-prop-2-enoxypentan-3-imine

N-prop-2-enoxypentan-3-imine (PubChem CID 174974673) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-prop-2-enoxypentan-3-imine.

Molecular Properties

Compound NameN-prop-2-enoxypentan-3-imine
PubChem CID174974673
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-prop-2-enoxypentan-3-imine
SMILESC=CCON=C(CC)CC
InChIInChI=1S/C8H15NO/c1-4-7-10-9-8(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyXOPNVXWWQNNSEQ-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enoxydecan-5-imine
CID 140989225
(2E)-2-prop-2-enoxyiminopropan-1-amine
CID 58684746
(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine
CID 122659228
2-prop-2-enoxyiminopropanoic acid
CID 54318593
1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
CID 173346929
ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate
CID 53254304
ethyl 3-bromo-2-prop-2-enoxyiminopropanoate
CID 118021342
2-prop-2-enoxyiminopropanedioate;silver
CID 118523482
disilver;2-prop-2-enoxyiminopropanedioate
CID 118523479
N-methylperoxypentan-3-imine
CID 150105473
(2E)-2-prop-2-enoxyiminopropanoic acid;O-prop-2-enylhydroxylamine
CID 88723475
ethoxy prop-2-enyl sulfate
CID 87065036

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxypentan-3-imine?
The IUPAC name of N-prop-2-enoxypentan-3-imine (CID 174974673) is N-prop-2-enoxypentan-3-imine.
What is the SMILES notation for N-prop-2-enoxypentan-3-imine?
The canonical SMILES for N-prop-2-enoxypentan-3-imine is C=CCON=C(CC)CC.
What is the InChIKey of N-prop-2-enoxypentan-3-imine?
The InChIKey is XOPNVXWWQNNSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-10-9-8(5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N-prop-2-enoxypentan-3-imine?
N-prop-2-enoxypentan-3-imine has a molecular weight of 141.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxypentan-3-imine is sourced from PubChem (CID 174974673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).