N-prop-2-enoxydecan-5-imine

C13H25NO — CID 140989225

IUPACN-prop-2-enoxydecan-5-imine
SMILESC=CCON=C(CCCC)CCCCC
InChIInChI=1S/C13H25NO/c1-4-7-9-11-13(10-8-5-2)14-15-12-6-3/h6H,3-5,7-12H2,1-2H3
InChIKeyYJRWVDAWZFGNJU-UHFFFAOYSA-N
MW211.35 g/mol
LogP4.32
Rot. Bonds10

About N-prop-2-enoxydecan-5-imine

N-prop-2-enoxydecan-5-imine (PubChem CID 140989225) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-prop-2-enoxydecan-5-imine.

Molecular Properties

Compound NameN-prop-2-enoxydecan-5-imine
PubChem CID140989225
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-prop-2-enoxydecan-5-imine
SMILESC=CCON=C(CCCC)CCCCC
InChIInChI=1S/C13H25NO/c1-4-7-9-11-13(10-8-5-2)14-15-12-6-3/h6H,3-5,7-12H2,1-2H3
InChIKeyYJRWVDAWZFGNJU-UHFFFAOYSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.32
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

(NZ)-N-non-1-en-4-ylidenehydroxylamine
CID 88738841
N-nonadec-1-en-4-ylidenehydroxylamine
CID 174804170
2-[(E)-hexadecan-8-ylideneamino]oxyacetic acid
CID 139309073
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
decan-5-ylidenehydrazine
CID 86114328
prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl 2-oxooctadecanoate
CID 140945960
5,6-dibutyltetradec-5-ene
CID 19866346
prop-2-enyl decaneperoxoate
CID 150777769
ethenyl tetracontanoate
CID 139682936
ethenyl heptatriacontanoate
CID 139682782

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxydecan-5-imine?
The IUPAC name of N-prop-2-enoxydecan-5-imine (CID 140989225) is N-prop-2-enoxydecan-5-imine.
What is the SMILES notation for N-prop-2-enoxydecan-5-imine?
The canonical SMILES for N-prop-2-enoxydecan-5-imine is C=CCON=C(CCCC)CCCCC.
What is the InChIKey of N-prop-2-enoxydecan-5-imine?
The InChIKey is YJRWVDAWZFGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-9-11-13(10-8-5-2)14-15-12-6-3/h6H,3-5,7-12H2,1-2H3.
What are the key properties of N-prop-2-enoxydecan-5-imine?
N-prop-2-enoxydecan-5-imine has a molecular weight of 211.35 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxydecan-5-imine is sourced from PubChem (CID 140989225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).