2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile

C19H30N2 — CID 43674379

IUPAC2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile
SMILESCCCCCCCC(C)Nc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C19H30N2/c1-5-6-7-8-9-10-16(2)21-18-13-11-17(12-14-18)19(3,4)15-20/h11-14,16,21H,5-10H2,1-4H3
InChIKeyOJYAHWSAKWEKTK-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.65
Rot. Bonds9

About 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile

2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile (PubChem CID 43674379) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile
PubChem CID43674379
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile
SMILESCCCCCCCC(C)Nc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C19H30N2/c1-5-6-7-8-9-10-16(2)21-18-13-11-17(12-14-18)19(3,4)15-20/h11-14,16,21H,5-10H2,1-4H3
InChIKeyOJYAHWSAKWEKTK-UHFFFAOYSA-N
XLogP5.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.65
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

4-tert-butyl-N-octan-2-ylaniline
CID 43129735
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-[4-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43129975
2-[4-(octan-2-ylamino)phenoxy]acetonitrile
CID 43129974
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
4-nitro-N-nonan-2-ylaniline
CID 43719788
1-N-(3-propan-2-yloxypropyl)-4-N-[(2R)-undecan-2-yl]benzene-1,4-diamine
CID 98160577
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
2-[4-(hexan-2-ylamino)phenyl]acetonitrile
CID 43786419
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile (CID 43674379) is 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile is CCCCCCCC(C)Nc1ccc(C(C)(C)C#N)cc1.
What is the InChIKey of 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile?
The InChIKey is OJYAHWSAKWEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-6-7-8-9-10-16(2)21-18-13-11-17(12-14-18)19(3,4)15-20/h11-14,16,21H,5-10H2,1-4H3.
What are the key properties of 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile?
2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile has a molecular weight of 286.46 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile is sourced from PubChem (CID 43674379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).