2-(nonan-2-ylamino)benzonitrile

C16H24N2 — CID 43129839

IUPAC2-(nonan-2-ylamino)benzonitrile
SMILESCCCCCCCC(C)Nc1ccccc1C#N
InChIInChI=1S/C16H24N2/c1-3-4-5-6-7-10-14(2)18-16-12-9-8-11-15(16)13-17/h8-9,11-12,14,18H,3-7,10H2,1-2H3
InChIKeySPQLHBHYRPDHCD-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.72
Rot. Bonds8

About 2-(nonan-2-ylamino)benzonitrile

2-(nonan-2-ylamino)benzonitrile (PubChem CID 43129839) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(nonan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(nonan-2-ylamino)benzonitrile
PubChem CID43129839
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(nonan-2-ylamino)benzonitrile
SMILESCCCCCCCC(C)Nc1ccccc1C#N
InChIInChI=1S/C16H24N2/c1-3-4-5-6-7-10-14(2)18-16-12-9-8-11-15(16)13-17/h8-9,11-12,14,18H,3-7,10H2,1-2H3
InChIKeySPQLHBHYRPDHCD-UHFFFAOYSA-N
XLogP4.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.72
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-(heptan-2-ylamino)benzonitrile
CID 43100327
2-(butan-2-ylamino)benzonitrile
CID 43178639
2-nitro-N-nonan-2-ylaniline
CID 43718170
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-(dodecylamino)benzonitrile
CID 63488308
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
3-bromo-4-(octan-2-ylamino)benzonitrile
CID 43722804
2-(2-methylpropoxy)-N-octan-2-ylaniline
CID 63452971

Frequently Asked Questions

What is the IUPAC name of 2-(nonan-2-ylamino)benzonitrile?
The IUPAC name of 2-(nonan-2-ylamino)benzonitrile (CID 43129839) is 2-(nonan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(nonan-2-ylamino)benzonitrile?
The canonical SMILES for 2-(nonan-2-ylamino)benzonitrile is CCCCCCCC(C)Nc1ccccc1C#N.
What is the InChIKey of 2-(nonan-2-ylamino)benzonitrile?
The InChIKey is SPQLHBHYRPDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-5-6-7-10-14(2)18-16-12-9-8-11-15(16)13-17/h8-9,11-12,14,18H,3-7,10H2,1-2H3.
What are the key properties of 2-(nonan-2-ylamino)benzonitrile?
2-(nonan-2-ylamino)benzonitrile has a molecular weight of 244.38 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonan-2-ylamino)benzonitrile is sourced from PubChem (CID 43129839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).