2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine

C16H26N2 — CID 65247484

IUPAC2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)(CN)CCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-16(2,13-17)9-11-18-10-8-15(12-18)14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyDHAMHBHKHYRRFI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.85
Rot. Bonds5

About 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine

2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine (PubChem CID 65247484) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
PubChem CID65247484
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)(CN)CCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-16(2,13-17)9-11-18-10-8-15(12-18)14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyDHAMHBHKHYRRFI-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
CID 65252705
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
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine (CID 65247484) is 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine is CC(C)(CN)CCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is DHAMHBHKHYRRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,13-17)9-11-18-10-8-15(12-18)14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 65247484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).