methyl N-decylethanimidate

C13H27NO — CID 51355250

IUPACmethyl N-decylethanimidate
SMILESCCCCCCCCCC/N=C(\C)OC
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-9-10-11-12-14-13(2)15-3/h4-12H2,1-3H3/b14-13+
InChIKeyQVFBZILAMDHYIT-BUHFOSPRSA-N
MW213.36 g/mol
LogP4.19
Rot. Bonds9

About methyl N-decylethanimidate

methyl N-decylethanimidate (PubChem CID 51355250) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is methyl N-decylethanimidate.

Molecular Properties

Compound Namemethyl N-decylethanimidate
PubChem CID51355250
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Namemethyl N-decylethanimidate
SMILESCCCCCCCCCC/N=C(\C)OC
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-9-10-11-12-14-13(2)15-3/h4-12H2,1-3H3/b14-13+
InChIKeyQVFBZILAMDHYIT-BUHFOSPRSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 54.19
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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propyl N-butylethanimidate
CID 155161366
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide
CID 136854400
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
1,2,3-trihexylguanidine
CID 173050322
1-ethyl-2-nonylguanidine
CID 111034740
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
N'-hexylpropanimidamide
CID 62048653
methoxymethane;undecane
CID 174775722

Frequently Asked Questions

What is the IUPAC name of methyl N-decylethanimidate?
The IUPAC name of methyl N-decylethanimidate (CID 51355250) is methyl N-decylethanimidate.
What is the SMILES notation for methyl N-decylethanimidate?
The canonical SMILES for methyl N-decylethanimidate is CCCCCCCCCC/N=C(\C)OC.
What is the InChIKey of methyl N-decylethanimidate?
The InChIKey is QVFBZILAMDHYIT-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-6-7-8-9-10-11-12-14-13(2)15-3/h4-12H2,1-3H3/b14-13+.
What are the key properties of methyl N-decylethanimidate?
methyl N-decylethanimidate has a molecular weight of 213.36 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-decylethanimidate is sourced from PubChem (CID 51355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).