1-(2-methyliminocycloundecylidene)ethanamine

C14H26N2 — CID 174083180

IUPAC1-(2-methyliminocycloundecylidene)ethanamine
SMILESC/N=C1\CCCCCCCCCC1=C(C)N
InChIInChI=1S/C14H26N2/c1-12(15)13-10-8-6-4-3-5-7-9-11-14(13)16-2/h3-11,15H2,1-2H3/b13-12?,16-14+
InChIKeyJPSFNZYRESGNMV-LYXWRFQJSA-N
MW222.38 g/mol
LogP3.81
Rot. Bonds

About 1-(2-methyliminocycloundecylidene)ethanamine

1-(2-methyliminocycloundecylidene)ethanamine (PubChem CID 174083180) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(2-methyliminocycloundecylidene)ethanamine.

Molecular Properties

Compound Name1-(2-methyliminocycloundecylidene)ethanamine
PubChem CID174083180
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(2-methyliminocycloundecylidene)ethanamine
SMILESC/N=C1\CCCCCCCCCC1=C(C)N
InChIInChI=1S/C14H26N2/c1-12(15)13-10-8-6-4-3-5-7-9-11-14(13)16-2/h3-11,15H2,1-2H3/b13-12?,16-14+
InChIKeyJPSFNZYRESGNMV-LYXWRFQJSA-N
XLogP3.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyliminocycloundecylidene)ethanamine?
The IUPAC name of 1-(2-methyliminocycloundecylidene)ethanamine (CID 174083180) is 1-(2-methyliminocycloundecylidene)ethanamine.
What is the SMILES notation for 1-(2-methyliminocycloundecylidene)ethanamine?
The canonical SMILES for 1-(2-methyliminocycloundecylidene)ethanamine is C/N=C1\CCCCCCCCCC1=C(C)N.
What is the InChIKey of 1-(2-methyliminocycloundecylidene)ethanamine?
The InChIKey is JPSFNZYRESGNMV-LYXWRFQJSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(15)13-10-8-6-4-3-5-7-9-11-14(13)16-2/h3-11,15H2,1-2H3/b13-12?,16-14+.
What are the key properties of 1-(2-methyliminocycloundecylidene)ethanamine?
1-(2-methyliminocycloundecylidene)ethanamine has a molecular weight of 222.38 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyliminocycloundecylidene)ethanamine is sourced from PubChem (CID 174083180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).