N-dodecoxypropan-2-imine

C15H31NO — CID 13454287

IUPACN-dodecoxypropan-2-imine
SMILESCCCCCCCCCCCCON=C(C)C
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-16-15(2)3/h4-14H2,1-3H3
InChIKeyHBKGJPSIHJGCPT-UHFFFAOYSA-N
MW241.42 g/mol
LogP5.32
Rot. Bonds12

About N-dodecoxypropan-2-imine

N-dodecoxypropan-2-imine (PubChem CID 13454287) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-dodecoxypropan-2-imine.

Molecular Properties

Compound NameN-dodecoxypropan-2-imine
PubChem CID13454287
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-dodecoxypropan-2-imine
SMILESCCCCCCCCCCCCON=C(C)C
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-16-15(2)3/h4-14H2,1-3H3
InChIKeyHBKGJPSIHJGCPT-UHFFFAOYSA-N
XLogP5.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.42
LogP ≤ 55.32
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-pentyl-5,6-dihydro-4H-oxazine
CID 13789900
5-Methyl-3-pentyl-4,5-dihydro-1,2-oxazole
CID 23396999
5-Hexyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12794211
3,5-Dibutyl-4,5-dihydro-1,2-oxazole
CID 121216456
cetyl-4,5-dihydro-6h-1,2-oxazine N-oxide
CID 129807659
5-Methyl-3-octyl-4,5-dihydro-1,2-oxazole
CID 164671064
(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334638
(5R)-3-ethyl-5-[(1S)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334639
3-pentyl-5,6-dihydro-4H-oxazine
CID 13789891
3-Butyl-4,5-dihydro-1,2-oxazole
CID 12415358
3-Methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 13165515
3-Ethyl-5-octyl-4,5-dihydro-1,2-oxazole
CID 13781460

Frequently Asked Questions

What is the IUPAC name of N-dodecoxypropan-2-imine?
The IUPAC name of N-dodecoxypropan-2-imine (CID 13454287) is N-dodecoxypropan-2-imine.
What is the SMILES notation for N-dodecoxypropan-2-imine?
The canonical SMILES for N-dodecoxypropan-2-imine is CCCCCCCCCCCCON=C(C)C.
What is the InChIKey of N-dodecoxypropan-2-imine?
The InChIKey is HBKGJPSIHJGCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-16-15(2)3/h4-14H2,1-3H3.
What are the key properties of N-dodecoxypropan-2-imine?
N-dodecoxypropan-2-imine has a molecular weight of 241.42 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecoxypropan-2-imine is sourced from PubChem (CID 13454287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).