N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine

C16H24N2 — CID 22238389

IUPACN-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
SMILESCCNCC1C2CCC1N(Cc1ccccc1)C2
InChIInChI=1S/C16H24N2/c1-2-17-10-15-14-8-9-16(15)18(12-14)11-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12H2,1H3
InChIKeyJFNHEGJEFYPDHD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.51
Rot. Bonds5

About N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine

N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine (PubChem CID 22238389) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
PubChem CID22238389
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
SMILESCCNCC1C2CCC1N(Cc1ccccc1)C2
InChIInChI=1S/C16H24N2/c1-2-17-10-15-14-8-9-16(15)18(12-14)11-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12H2,1H3
InChIKeyJFNHEGJEFYPDHD-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 98071497
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 56972812
6-benzyl-3,6-diazabicyclo[3.2.0]heptane
CID 83669976
1-benzyl-2-cyclopropyl-5-propylpiperazine
CID 64839373
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 10137287
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine (CID 22238389) is N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine is CCNCC1C2CCC1N(Cc1ccccc1)C2.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine?
The InChIKey is JFNHEGJEFYPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-17-10-15-14-8-9-16(15)18(12-14)11-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12H2,1H3.
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine?
N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine is sourced from PubChem (CID 22238389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).