2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine

C17H28N2 — CID 55025768

IUPAC2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCCCc1ccccc1)CN1CCCC1
InChIInChI=1S/C17H28N2/c1-16(15-19-12-5-6-13-19)14-18-11-7-10-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3
InChIKeyDAYCCGXXYVVDQZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.94
Rot. Bonds8

About 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 55025768) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID55025768
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCCCc1ccccc1)CN1CCCC1
InChIInChI=1S/C17H28N2/c1-16(15-19-12-5-6-13-19)14-18-11-7-10-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3
InChIKeyDAYCCGXXYVVDQZ-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-phenylethyl)guanidine
CID 111134003
N-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165134
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
CID 79008482
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 55025768) is 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCCCc1ccccc1)CN1CCCC1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DAYCCGXXYVVDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(15-19-12-5-6-13-19)14-18-11-7-10-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3.
What are the key properties of 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 55025768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).