N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine

C17H28N2 — CID 62263266

IUPACN-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)CC1(CNC)CCCC1
InChIInChI=1S/C17H28N2/c1-3-19(13-16-9-5-4-6-10-16)15-17(14-18-2)11-7-8-12-17/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3
InChIKeyMUIMWXRJEOXGIC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine

N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine (PubChem CID 62263266) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine
PubChem CID62263266
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)CC1(CNC)CCCC1
InChIInChI=1S/C17H28N2/c1-3-19(13-16-9-5-4-6-10-16)15-17(14-18-2)11-7-8-12-17/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3
InChIKeyMUIMWXRJEOXGIC-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine (CID 62263266) is N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine is CCN(Cc1ccccc1)CC1(CNC)CCCC1.
What is the InChIKey of N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is MUIMWXRJEOXGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-19(13-16-9-5-4-6-10-16)15-17(14-18-2)11-7-8-12-17/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3.
What are the key properties of N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine?
N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62263266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).