N-(3-ethoxytridecyl)-4-methylpentan-2-imine

C21H43NO — CID 151135054

IUPACN-(3-ethoxytridecyl)-4-methylpentan-2-imine
SMILESCCCCCCCCCCC(CC/N=C(\C)CC(C)C)OCC
InChIInChI=1S/C21H43NO/c1-6-8-9-10-11-12-13-14-15-21(23-7-2)16-17-22-20(5)18-19(3)4/h19,21H,6-18H2,1-5H3/b22-20+
InChIKeyMVARMSWNSKBPIB-LSDHQDQOSA-N
MW325.58 g/mol
LogP6.82
Rot. Bonds16

About N-(3-ethoxytridecyl)-4-methylpentan-2-imine

N-(3-ethoxytridecyl)-4-methylpentan-2-imine (PubChem CID 151135054) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is N-(3-ethoxytridecyl)-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-(3-ethoxytridecyl)-4-methylpentan-2-imine
PubChem CID151135054
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC NameN-(3-ethoxytridecyl)-4-methylpentan-2-imine
SMILESCCCCCCCCCCC(CC/N=C(\C)CC(C)C)OCC
InChIInChI=1S/C21H43NO/c1-6-8-9-10-11-12-13-14-15-21(23-7-2)16-17-22-20(5)18-19(3)4/h19,21H,6-18H2,1-5H3/b22-20+
InChIKeyMVARMSWNSKBPIB-LSDHQDQOSA-N
XLogP6.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.82
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'}

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Related Compounds

N-hexadecyl-4-methylpentan-2-imine
CID 102140626
9-ethoxyoctadecane
CID 87148376
4-ethoxytridecan-2-one
CID 89225856
5-ethoxynonane
CID 91187482
4-ethoxydodecane;sulfuric acid
CID 87841741
1,4-diethoxydecane
CID 140997951
2-ethoxy-1-iododecane
CID 13149348
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
(3S)-1,1,3-triethoxynonane
CID 3084722
2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
CID 155672905
4-ethoxyoctan-1-ol
CID 21254369
3-ethoxyheptane-1,7-diol
CID 57097049

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxytridecyl)-4-methylpentan-2-imine?
The IUPAC name of N-(3-ethoxytridecyl)-4-methylpentan-2-imine (CID 151135054) is N-(3-ethoxytridecyl)-4-methylpentan-2-imine.
What is the SMILES notation for N-(3-ethoxytridecyl)-4-methylpentan-2-imine?
The canonical SMILES for N-(3-ethoxytridecyl)-4-methylpentan-2-imine is CCCCCCCCCCC(CC/N=C(\C)CC(C)C)OCC.
What is the InChIKey of N-(3-ethoxytridecyl)-4-methylpentan-2-imine?
The InChIKey is MVARMSWNSKBPIB-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H43NO/c1-6-8-9-10-11-12-13-14-15-21(23-7-2)16-17-22-20(5)18-19(3)4/h19,21H,6-18H2,1-5H3/b22-20+.
What are the key properties of N-(3-ethoxytridecyl)-4-methylpentan-2-imine?
N-(3-ethoxytridecyl)-4-methylpentan-2-imine has a molecular weight of 325.58 g/mol, XLogP of 6.82, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxytridecyl)-4-methylpentan-2-imine is sourced from PubChem (CID 151135054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).