N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H20N2O — CID 66395880

IUPACN-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCC1CCCC1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H20N2O/c16-9-11-5-3-7-14(11)17-15(18)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14H,3,5,7-9,16H2,(H,17,18)
InChIKeySUBRMYZKPWEDAK-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.57
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66395880) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66395880
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCC1CCCC1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H20N2O/c16-9-11-5-3-7-14(11)17-15(18)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14H,3,5,7-9,16H2,(H,17,18)
InChIKeySUBRMYZKPWEDAK-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62956923
N-[2-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119604472
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394395
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119602905
N-[(2-bromocyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113275363
N-[2-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119604411
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119611682
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
N-(2-amino-2-sulfanylideneethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394762
N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride
CID 119524742
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66395880) is N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is NCC1CCCC1NC(=O)C1Cc2ccccc21.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is SUBRMYZKPWEDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-9-11-5-3-7-14(11)17-15(18)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14H,3,5,7-9,16H2,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66395880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).