2-[4-(nonylamino)phenyl]acetonitrile

C17H26N2 — CID 63491741

IUPAC2-[4-(nonylamino)phenyl]acetonitrile
SMILESCCCCCCCCCNc1ccc(CC#N)cc1
InChIInChI=1S/C17H26N2/c1-2-3-4-5-6-7-8-15-19-17-11-9-16(10-12-17)13-14-18/h9-12,19H,2-8,13,15H2,1H3
InChIKeyHAJXMFGNSZHQOO-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.92
Rot. Bonds10

About 2-[4-(nonylamino)phenyl]acetonitrile

2-[4-(nonylamino)phenyl]acetonitrile (PubChem CID 63491741) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[4-(nonylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(nonylamino)phenyl]acetonitrile
PubChem CID63491741
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-[4-(nonylamino)phenyl]acetonitrile
SMILESCCCCCCCCCNc1ccc(CC#N)cc1
InChIInChI=1S/C17H26N2/c1-2-3-4-5-6-7-8-15-19-17-11-9-16(10-12-17)13-14-18/h9-12,19H,2-8,13,15H2,1H3
InChIKeyHAJXMFGNSZHQOO-UHFFFAOYSA-N
XLogP4.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-ethylsulfonylpropylamino)phenyl]acetonitrile
CID 65093265
4-(decylamino)benzonitrile
CID 23349332
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
methyl 6-[4-(cyanomethyl)anilino]hexanoate
CID 82538913
4-(chloromethyl)-N-hexylaniline
CID 65025803
5-[4-(cyanomethyl)anilino]pentanoic acid
CID 103248140
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
4-methyl-N-octylaniline
CID 11816856
N-heptylaniline;hydrate
CID 174886464
4-fluoro-N-heptylaniline
CID 43129312
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889

Frequently Asked Questions

What is the IUPAC name of 2-[4-(nonylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(nonylamino)phenyl]acetonitrile (CID 63491741) is 2-[4-(nonylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(nonylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(nonylamino)phenyl]acetonitrile is CCCCCCCCCNc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(nonylamino)phenyl]acetonitrile?
The InChIKey is HAJXMFGNSZHQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-3-4-5-6-7-8-15-19-17-11-9-16(10-12-17)13-14-18/h9-12,19H,2-8,13,15H2,1H3.
What are the key properties of 2-[4-(nonylamino)phenyl]acetonitrile?
2-[4-(nonylamino)phenyl]acetonitrile has a molecular weight of 258.41 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(nonylamino)phenyl]acetonitrile is sourced from PubChem (CID 63491741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).