N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine

C14H20N2 — CID 130382138

IUPACN-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESCN1CC2CCC1C2NCc1ccccc1
InChIInChI=1S/C14H20N2/c1-16-10-12-7-8-13(16)14(12)15-9-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3
InChIKeyYRXAYAXARURDCO-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.87
Rot. Bonds3

About N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine

N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine (PubChem CID 130382138) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
PubChem CID130382138
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESCN1CC2CCC1C2NCc1ccccc1
InChIInChI=1S/C14H20N2/c1-16-10-12-7-8-13(16)14(12)15-9-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3
InChIKeyYRXAYAXARURDCO-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 75994
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(1-Benzylpyrrolidin-3-yl)methanamine
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CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
N-benzyl-N-isobutylpiperidin-4-amine
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CID 2846645
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
1-(4-Methylbenzyl)piperazine
CID 764723
N-benzyl-1-methylpiperidin-4-amine
CID 1114650

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
The IUPAC name of N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine (CID 130382138) is N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine is CN1CC2CCC1C2NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
The InChIKey is YRXAYAXARURDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-16-10-12-7-8-13(16)14(12)15-9-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3.
What are the key properties of N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine has a molecular weight of 216.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 130382138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).