2-methyl-2-(pentylamino)propanenitrile

C9H18N2 — CID 28702643

IUPAC2-methyl-2-(pentylamino)propanenitrile
SMILESCCCCCNC(C)(C)C#N
InChIInChI=1S/C9H18N2/c1-4-5-6-7-11-9(2,3)8-10/h11H,4-7H2,1-3H3
InChIKeyHLWBQXYHIWGUMY-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.07
Rot. Bonds5

About 2-methyl-2-(pentylamino)propanenitrile

2-methyl-2-(pentylamino)propanenitrile (PubChem CID 28702643) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-2-(pentylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(pentylamino)propanenitrile
PubChem CID28702643
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-2-(pentylamino)propanenitrile
SMILESCCCCCNC(C)(C)C#N
InChIInChI=1S/C9H18N2/c1-4-5-6-7-11-9(2,3)8-10/h11H,4-7H2,1-3H3
InChIKeyHLWBQXYHIWGUMY-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.07
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-[3-(dimethylamino)propylamino]-2-methylpropanenitrile
CID 28702603
N-tert-butylnonadecan-1-amine
CID 87846739
methyl 7-(2-cyanopropan-2-ylamino)heptanoate
CID 25133168
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
5-(2-methylpentan-2-ylamino)pentanenitrile
CID 115605289
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
1,1-bis(octylamino)ethanol
CID 87347011
N-(2-methylbut-3-en-2-yl)octadecan-1-amine;hydrochloride
CID 173339129
2-(3-hydroxypropylamino)-2-methylnonanenitrile
CID 62588050
N-heptyl-5-methylnonan-5-amine
CID 126560493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pentylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(pentylamino)propanenitrile (CID 28702643) is 2-methyl-2-(pentylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(pentylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(pentylamino)propanenitrile is CCCCCNC(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(pentylamino)propanenitrile?
The InChIKey is HLWBQXYHIWGUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-7-11-9(2,3)8-10/h11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(pentylamino)propanenitrile?
2-methyl-2-(pentylamino)propanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pentylamino)propanenitrile is sourced from PubChem (CID 28702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).