2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine

C19H32N2 — CID 81012350

IUPAC2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-15(2)12-20-13-16(3)17(4)21-11-10-19(14-21)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3
InChIKeyHGSLDXYHLIOPPO-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.75
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine

2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine (PubChem CID 81012350) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
PubChem CID81012350
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-15(2)12-20-13-16(3)17(4)21-11-10-19(14-21)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3
InChIKeyHGSLDXYHLIOPPO-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine (CID 81012350) is 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine is CC(C)CNCC(C)C(C)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is HGSLDXYHLIOPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)12-20-13-16(3)17(4)21-11-10-19(14-21)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine?
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 81012350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).