N-methyl-2-(undec-10-enylideneamino)ethanamine

C14H28N2 — CID 137399758

IUPACN-methyl-2-(undec-10-enylideneamino)ethanamine
SMILESC=CCCCCCCCC/C=N/CCNC
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-8-9-10-11-12-16-14-13-15-2/h3,12,15H,1,4-11,13-14H2,2H3/b16-12+
InChIKeyVFWRJYSTJRRMER-FOWTUZBSSA-N
MW224.39 g/mol
LogP3.58
Rot. Bonds12

About N-methyl-2-(undec-10-enylideneamino)ethanamine

N-methyl-2-(undec-10-enylideneamino)ethanamine (PubChem CID 137399758) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-methyl-2-(undec-10-enylideneamino)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(undec-10-enylideneamino)ethanamine
PubChem CID137399758
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-methyl-2-(undec-10-enylideneamino)ethanamine
SMILESC=CCCCCCCCC/C=N/CCNC
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-8-9-10-11-12-16-14-13-15-2/h3,12,15H,1,4-11,13-14H2,2H3/b16-12+
InChIKeyVFWRJYSTJRRMER-FOWTUZBSSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(undec-10-enylideneamino)ethanamine?
The IUPAC name of N-methyl-2-(undec-10-enylideneamino)ethanamine (CID 137399758) is N-methyl-2-(undec-10-enylideneamino)ethanamine.
What is the SMILES notation for N-methyl-2-(undec-10-enylideneamino)ethanamine?
The canonical SMILES for N-methyl-2-(undec-10-enylideneamino)ethanamine is C=CCCCCCCCC/C=N/CCNC.
What is the InChIKey of N-methyl-2-(undec-10-enylideneamino)ethanamine?
The InChIKey is VFWRJYSTJRRMER-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-5-6-7-8-9-10-11-12-16-14-13-15-2/h3,12,15H,1,4-11,13-14H2,2H3/b16-12+.
What are the key properties of N-methyl-2-(undec-10-enylideneamino)ethanamine?
N-methyl-2-(undec-10-enylideneamino)ethanamine has a molecular weight of 224.39 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(undec-10-enylideneamino)ethanamine is sourced from PubChem (CID 137399758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).