2-(undec-1-en-2-ylamino)acetonitrile

C13H24N2 — CID 88730830

IUPAC2-(undec-1-en-2-ylamino)acetonitrile
SMILESC=C(CCCCCCCCC)NCC#N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-13(2)15-12-11-14/h15H,2-10,12H2,1H3
InChIKeyGPXNODYQPXXNEK-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.75
Rot. Bonds10

About 2-(undec-1-en-2-ylamino)acetonitrile

2-(undec-1-en-2-ylamino)acetonitrile (PubChem CID 88730830) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(undec-1-en-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(undec-1-en-2-ylamino)acetonitrile
PubChem CID88730830
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(undec-1-en-2-ylamino)acetonitrile
SMILESC=C(CCCCCCCCC)NCC#N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-13(2)15-12-11-14/h15H,2-10,12H2,1H3
InChIKeyGPXNODYQPXXNEK-UHFFFAOYSA-N
XLogP3.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(undec-1-en-2-ylamino)acetonitrile?
The IUPAC name of 2-(undec-1-en-2-ylamino)acetonitrile (CID 88730830) is 2-(undec-1-en-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(undec-1-en-2-ylamino)acetonitrile?
The canonical SMILES for 2-(undec-1-en-2-ylamino)acetonitrile is C=C(CCCCCCCCC)NCC#N.
What is the InChIKey of 2-(undec-1-en-2-ylamino)acetonitrile?
The InChIKey is GPXNODYQPXXNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-13(2)15-12-11-14/h15H,2-10,12H2,1H3.
What are the key properties of 2-(undec-1-en-2-ylamino)acetonitrile?
2-(undec-1-en-2-ylamino)acetonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-1-en-2-ylamino)acetonitrile is sourced from PubChem (CID 88730830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).