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

C16H26N2 — CID 62412660

IUPACN,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCNCC(C(C)C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13(2)16(11-17-3)18-10-9-15(12-18)14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3
InChIKeyRMCCJZPROKPROD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.72
Rot. Bonds5

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

N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine (PubChem CID 62412660) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
PubChem CID62412660
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCNCC(C(C)C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13(2)16(11-17-3)18-10-9-15(12-18)14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3
InChIKeyRMCCJZPROKPROD-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
N-methyl-2-(3-phenylpyrrolidin-1-yl)pentan-3-amine
CID 62132289
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 81012350
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine
CID 62133567
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724066
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
CID 64702739
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
methyl (2S)-2-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 52534456

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine (CID 62412660) is N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine is CNCC(C(C)C)N1CCC(c2ccccc2)C1.
What is the InChIKey of N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is RMCCJZPROKPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16(11-17-3)18-10-9-15(12-18)14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine?
N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 62412660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).