2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile

C17H25N3 — CID 62132130

IUPAC2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
SMILESCC(N)(C#N)CCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H25N3/c1-17(19,14-18)10-5-6-11-20-12-9-16(13-20)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13,19H2,1H3
InChIKeyKZOJBNPSWBJPNM-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.89
Rot. Bonds6

About 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile

2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile (PubChem CID 62132130) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
PubChem CID62132130
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
SMILESCC(N)(C#N)CCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H25N3/c1-17(19,14-18)10-5-6-11-20-12-9-16(13-20)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13,19H2,1H3
InChIKeyKZOJBNPSWBJPNM-UHFFFAOYSA-N
XLogP2.89
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
2-methyl-4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 62131420
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile?
The IUPAC name of 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile (CID 62132130) is 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile.
What is the SMILES notation for 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile?
The canonical SMILES for 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile is CC(N)(C#N)CCCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile?
The InChIKey is KZOJBNPSWBJPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(19,14-18)10-5-6-11-20-12-9-16(13-20)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13,19H2,1H3.
What are the key properties of 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile?
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile is sourced from PubChem (CID 62132130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).