undec-10-en-1-imine

C11H21N — CID 57217814

IUPACundec-10-en-1-imine
SMILES[H]/N=C/CCCCCCCCC=C
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11-12H,1,3-10H2/b12-11+
InChIKeyJGIUNQWHWMMMQW-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.94
Rot. Bonds9

About undec-10-en-1-imine

undec-10-en-1-imine (PubChem CID 57217814) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is undec-10-en-1-imine.

Molecular Properties

Compound Nameundec-10-en-1-imine
PubChem CID57217814
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameundec-10-en-1-imine
SMILES[H]/N=C/CCCCCCCCC=C
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11-12H,1,3-10H2/b12-11+
InChIKeyJGIUNQWHWMMMQW-VAWYXSNFSA-N
XLogP3.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 undec-10-en-1-imine?
The IUPAC name of undec-10-en-1-imine (CID 57217814) is undec-10-en-1-imine.
What is the SMILES notation for undec-10-en-1-imine?
The canonical SMILES for undec-10-en-1-imine is [H]/N=C/CCCCCCCCC=C.
What is the InChIKey of undec-10-en-1-imine?
The InChIKey is JGIUNQWHWMMMQW-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11-12H,1,3-10H2/b12-11+.
What are the key properties of undec-10-en-1-imine?
undec-10-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-en-1-imine is sourced from PubChem (CID 57217814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).