2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine

C17H28N2 — CID 65254158

IUPAC2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
SMILESCC(C)(CN)CCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,14-18)10-6-11-19-12-9-16(13-19)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14,18H2,1-2H3
InChIKeyCUMFVURVPQDPGF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds6

About 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine

2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine (PubChem CID 65254158) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
PubChem CID65254158
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
SMILESCC(C)(CN)CCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,14-18)10-6-11-19-12-9-16(13-19)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14,18H2,1-2H3
InChIKeyCUMFVURVPQDPGF-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
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
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 103152450
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine (CID 65254158) is 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine is CC(C)(CN)CCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine?
The InChIKey is CUMFVURVPQDPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,14-18)10-6-11-19-12-9-16(13-19)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine?
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine is sourced from PubChem (CID 65254158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).