N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine

C16H24N2 — CID 66409309

IUPACN-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC2Cc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-2-17-10-13-7-8-18(11-13)12-15-9-14-5-3-4-6-16(14)15/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyVYEDRWPNWOZJQF-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.26
Rot. Bonds5

About N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 66409309) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID66409309
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC2Cc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-2-17-10-13-7-8-18(11-13)12-15-9-14-5-3-4-6-16(14)15/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyVYEDRWPNWOZJQF-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 66407796
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(chloromethyl)piperidine
CID 66394693
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
CID 102985398
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1-chloroethyl)piperidine
CID 106838163
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 66409309) is N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(CC2Cc3ccccc32)C1.
What is the InChIKey of N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is VYEDRWPNWOZJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-17-10-13-7-8-18(11-13)12-15-9-14-5-3-4-6-16(14)15/h3-6,13,15,17H,2,7-12H2,1H3.
What are the key properties of N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66409309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).