N-hexoxypropan-2-imine;N-pentoxypropan-2-imine

C17H36N2O2 — CID 91028134

IUPACN-hexoxypropan-2-imine;N-pentoxypropan-2-imine
SMILESCCCCCCON=C(C)C.CCCCCON=C(C)C
InChIInChI=1S/C9H19NO.C8H17NO/c1-4-5-6-7-8-11-10-9(2)3;1-4-5-6-7-10-9-8(2)3/h4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyUVFSFXVERJHMAE-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.57
Rot. Bonds11

About N-hexoxypropan-2-imine;N-pentoxypropan-2-imine

N-hexoxypropan-2-imine;N-pentoxypropan-2-imine (PubChem CID 91028134) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-hexoxypropan-2-imine;N-pentoxypropan-2-imine.

Molecular Properties

Compound NameN-hexoxypropan-2-imine;N-pentoxypropan-2-imine
PubChem CID91028134
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-hexoxypropan-2-imine;N-pentoxypropan-2-imine
SMILESCCCCCCON=C(C)C.CCCCCON=C(C)C
InChIInChI=1S/C9H19NO.C8H17NO/c1-4-5-6-7-8-11-10-9(2)3;1-4-5-6-7-10-9-8(2)3/h4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyUVFSFXVERJHMAE-UHFFFAOYSA-N
XLogP5.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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CID 154161085
2-dodecoxyguanidine
CID 158305776
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine
CID 174757879
(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
CID 163402876
hexadecoxyiminosilane
CID 173221095
(E)-N-pentoxypentan-1-imine
CID 18714719
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
CID 145076834
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
(1E)-N-hexoxy-2-oxoethanimidoyl cyanide
CID 173232648
2-nonoxyimino-1-phenylpropan-1-one
CID 150656295
2-(propan-2-ylideneamino)oxyethanamine
CID 58685021
alumane;hexyl acetate
CID 174832794

Frequently Asked Questions

What is the IUPAC name of N-hexoxypropan-2-imine;N-pentoxypropan-2-imine?
The IUPAC name of N-hexoxypropan-2-imine;N-pentoxypropan-2-imine (CID 91028134) is N-hexoxypropan-2-imine;N-pentoxypropan-2-imine.
What is the SMILES notation for N-hexoxypropan-2-imine;N-pentoxypropan-2-imine?
The canonical SMILES for N-hexoxypropan-2-imine;N-pentoxypropan-2-imine is CCCCCCON=C(C)C.CCCCCON=C(C)C.
What is the InChIKey of N-hexoxypropan-2-imine;N-pentoxypropan-2-imine?
The InChIKey is UVFSFXVERJHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H17NO/c1-4-5-6-7-8-11-10-9(2)3;1-4-5-6-7-10-9-8(2)3/h4-8H2,1-3H3;4-7H2,1-3H3.
What are the key properties of N-hexoxypropan-2-imine;N-pentoxypropan-2-imine?
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine has a molecular weight of 300.49 g/mol, XLogP of 5.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexoxypropan-2-imine;N-pentoxypropan-2-imine is sourced from PubChem (CID 91028134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).