(E)-1-hexan-3-yloxy-N-methoxypropan-2-imine

C10H21NO2 — CID 20782030

IUPAC(E)-1-hexan-3-yloxy-N-methoxypropan-2-imine
SMILESCCCC(CC)OC/C(C)=N/OC
InChIInChI=1S/C10H21NO2/c1-5-7-10(6-2)13-8-9(3)11-12-4/h10H,5-8H2,1-4H3/b11-9+
InChIKeyXSWYCNIOFGOEPR-PKNBQFBNSA-N
MW187.28 g/mol
LogP2.60
Rot. Bonds7

About (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine

(E)-1-hexan-3-yloxy-N-methoxypropan-2-imine (PubChem CID 20782030) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine.

Molecular Properties

Compound Name(E)-1-hexan-3-yloxy-N-methoxypropan-2-imine
PubChem CID20782030
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(E)-1-hexan-3-yloxy-N-methoxypropan-2-imine
SMILESCCCC(CC)OC/C(C)=N/OC
InChIInChI=1S/C10H21NO2/c1-5-7-10(6-2)13-8-9(3)11-12-4/h10H,5-8H2,1-4H3/b11-9+
InChIKeyXSWYCNIOFGOEPR-PKNBQFBNSA-N
XLogP2.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(NZ)-N-(1-hexan-3-yloxypropan-2-ylidene)hydroxylamine
CID 57890881
(Z)-1-hexan-3-yloxy-N-methoxypropan-2-imine
CID 60003408
1-hexan-3-yloxy-N-methoxypropan-2-imine
CID 73708957
1-butoxy-N-[(2-methylpropan-2-yl)oxy]propan-2-imine
CID 88236235
N-[(2-methylpropan-2-yl)oxy]-1-pentoxypropan-2-imine
CID 88239154
(E)-1-[(2R)-1-butoxybutan-2-yl]oxy-N-methoxybutan-2-imine
CID 88934212
(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 139545722
N-(1-hexoxypropan-2-ylidene)hydroxylamine
CID 151613111
N-(1-pentoxypropan-2-ylidene)hydroxylamine
CID 153814104
methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate
CID 172945492
(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine
CID 172975105
(E)-N-ethoxy-1-(oxolan-2-yl)ethanimine
CID 126997676

Frequently Asked Questions

What is the IUPAC name of (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine?
The IUPAC name of (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine (CID 20782030) is (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine.
What is the SMILES notation for (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine?
The canonical SMILES for (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine is CCCC(CC)OC/C(C)=N/OC.
What is the InChIKey of (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine?
The InChIKey is XSWYCNIOFGOEPR-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-10(6-2)13-8-9(3)11-12-4/h10H,5-8H2,1-4H3/b11-9+.
What are the key properties of (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine?
(E)-1-hexan-3-yloxy-N-methoxypropan-2-imine has a molecular weight of 187.28 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hexan-3-yloxy-N-methoxypropan-2-imine is sourced from PubChem (CID 20782030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).