N-ethoxyhexan-2-imine

C8H17NO — CID 86028505

IUPACN-ethoxyhexan-2-imine
SMILESCCCCC(C)=NOCC
InChIInChI=1S/C8H17NO/c1-4-6-7-8(3)9-10-5-2/h4-7H2,1-3H3
InChIKeyKWDGKZSNFSHCIJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.59
Rot. Bonds5

About N-ethoxyhexan-2-imine

N-ethoxyhexan-2-imine (PubChem CID 86028505) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethoxyhexan-2-imine.

Molecular Properties

Compound NameN-ethoxyhexan-2-imine
PubChem CID86028505
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-ethoxyhexan-2-imine
SMILESCCCCC(C)=NOCC
InChIInChI=1S/C8H17NO/c1-4-6-7-8(3)9-10-5-2/h4-7H2,1-3H3
InChIKeyKWDGKZSNFSHCIJ-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxybutan-2-imine
CID 54202913
2-(heptan-2-ylideneamino)oxyacetic acid
CID 80558488
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
[(E)-nonan-2-ylideneamino] acetate
CID 87079098
ethane;(Z)-N-ethoxypent-4-yn-2-imine
CID 142624885
(octan-2-ylideneamino) hexanoate
CID 142734724
2-(pentan-2-ylideneamino)oxyacetic acid
CID 77013180
1-(hexan-2-ylideneamino)ethanamine
CID 123584737
N-tridecan-2-ylidenehydroxylamine
CID 74054313
N-tetradecan-2-ylidenehydroxylamine
CID 140688122
sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride
CID 173083185
N-prop-2-enoxydecan-5-imine
CID 140989225

Frequently Asked Questions

What is the IUPAC name of N-ethoxyhexan-2-imine?
The IUPAC name of N-ethoxyhexan-2-imine (CID 86028505) is N-ethoxyhexan-2-imine.
What is the SMILES notation for N-ethoxyhexan-2-imine?
The canonical SMILES for N-ethoxyhexan-2-imine is CCCCC(C)=NOCC.
What is the InChIKey of N-ethoxyhexan-2-imine?
The InChIKey is KWDGKZSNFSHCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-7-8(3)9-10-5-2/h4-7H2,1-3H3.
What are the key properties of N-ethoxyhexan-2-imine?
N-ethoxyhexan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyhexan-2-imine is sourced from PubChem (CID 86028505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).