2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine

C17H28N2 — CID 55094082

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H28N2/c1-14(2)19(12-15-8-5-4-6-9-15)13-16-10-7-11-17(16)18-3/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3
InChIKeyWEEASSJHFIWQGN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds6

About 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine

2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine (PubChem CID 55094082) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
PubChem CID55094082
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H28N2/c1-14(2)19(12-15-8-5-4-6-9-15)13-16-10-7-11-17(16)18-3/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3
InChIKeyWEEASSJHFIWQGN-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine (CID 55094082) is 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine is CNC1CCCC1CN(Cc1ccccc1)C(C)C.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine?
The InChIKey is WEEASSJHFIWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)19(12-15-8-5-4-6-9-15)13-16-10-7-11-17(16)18-3/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine?
2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 55094082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).