2-(nonylamino)acetonitrile

C11H22N2 — CID 151643365

IUPAC2-(nonylamino)acetonitrile
SMILESCCCCCCCCCNCC#N
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h13H,2-8,10-11H2,1H3
InChIKeyQSZNFIGYIOBPFO-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.85
Rot. Bonds9

About 2-(nonylamino)acetonitrile

2-(nonylamino)acetonitrile (PubChem CID 151643365) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(nonylamino)acetonitrile.

Molecular Properties

Compound Name2-(nonylamino)acetonitrile
PubChem CID151643365
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(nonylamino)acetonitrile
SMILESCCCCCCCCCNCC#N
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h13H,2-8,10-11H2,1H3
InChIKeyQSZNFIGYIOBPFO-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.85
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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Related Compounds

2-(hexylamino)acetonitrile;hydrochloride
CID 22259892
2-(dodecylamino)acetonitrile;sulfuric acid
CID 172697607
4-(octylamino)butanenitrile
CID 78914352
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
2-(3-butoxypropylamino)acetonitrile
CID 115577389
2-(propylamino)acetonitrile;hydrochloride
CID 22259889
N-propyldodecan-1-amine;hydrate
CID 175137397
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of 2-(nonylamino)acetonitrile?
The IUPAC name of 2-(nonylamino)acetonitrile (CID 151643365) is 2-(nonylamino)acetonitrile.
What is the SMILES notation for 2-(nonylamino)acetonitrile?
The canonical SMILES for 2-(nonylamino)acetonitrile is CCCCCCCCCNCC#N.
What is the InChIKey of 2-(nonylamino)acetonitrile?
The InChIKey is QSZNFIGYIOBPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h13H,2-8,10-11H2,1H3.
What are the key properties of 2-(nonylamino)acetonitrile?
2-(nonylamino)acetonitrile has a molecular weight of 182.31 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonylamino)acetonitrile is sourced from PubChem (CID 151643365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).