N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide

C14H20N2O — CID 123877752

IUPACN-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC(CN)CC2
InChIInChI=1S/C14H20N2O/c1-10(17)16-14-7-6-12-4-2-11(9-15)3-5-13(12)8-14/h6-8,11H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyZXKFOWJZPVPUGY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds2

About N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide

N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide (PubChem CID 123877752) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide.

Molecular Properties

Compound NameN-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
PubChem CID123877752
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC(CN)CC2
InChIInChI=1S/C14H20N2O/c1-10(17)16-14-7-6-12-4-2-11(9-15)3-5-13(12)8-14/h6-8,11H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyZXKFOWJZPVPUGY-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
CID 129111805
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride
CID 10775658
N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54040083
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate
CID 22471902
tert-butyl N-(7-acetyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)carbamate
CID 168876766
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074

Frequently Asked Questions

What is the IUPAC name of N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?
The IUPAC name of N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide (CID 123877752) is N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide.
What is the SMILES notation for N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?
The canonical SMILES for N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCC(CN)CC2.
What is the InChIKey of N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?
The InChIKey is ZXKFOWJZPVPUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(17)16-14-7-6-12-4-2-11(9-15)3-5-13(12)8-14/h6-8,11H,2-5,9,15H2,1H3,(H,16,17).
What are the key properties of N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide is sourced from PubChem (CID 123877752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).