2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine

C17H28N2 — CID 115621683

IUPAC2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccccc1N1CCCC1
InChIInChI=1S/C17H28N2/c1-4-11-17(2,3)18-14-15-9-5-6-10-16(15)19-12-7-8-13-19/h5-6,9-10,18H,4,7-8,11-14H2,1-3H3
InChIKeyXPEYCMRSXLRRNA-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.96
Rot. Bonds6

About 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine

2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine (PubChem CID 115621683) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
PubChem CID115621683
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccccc1N1CCCC1
InChIInChI=1S/C17H28N2/c1-4-11-17(2,3)18-14-15-9-5-6-10-16(15)19-12-7-8-13-19/h5-6,9-10,18H,4,7-8,11-14H2,1-3H3
InChIKeyXPEYCMRSXLRRNA-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 129255508
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N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
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N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
CID 62117804
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
2,2-dimethyl-3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanenitrile
CID 104587166
2-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 103711490
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
azane;1-(2-butylphenyl)piperidine
CID 70222464
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CID 102141115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine (CID 115621683) is 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine is CCCC(C)(C)NCc1ccccc1N1CCCC1.
What is the InChIKey of 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine?
The InChIKey is XPEYCMRSXLRRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-17(2,3)18-14-15-9-5-6-10-16(15)19-12-7-8-13-19/h5-6,9-10,18H,4,7-8,11-14H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine?
2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine has a molecular weight of 260.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 115621683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).