[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone

C17H24N2O — CID 115442062

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESCC1CCC(CN)(C(=O)N2Cc3ccccc3C2)CC1
InChIInChI=1S/C17H24N2O/c1-13-6-8-17(12-18,9-7-13)16(20)19-10-14-4-2-3-5-15(14)11-19/h2-5,13H,6-12,18H2,1H3
InChIKeyGPYVVRDAHKXBSA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.68
Rot. Bonds2

About [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 115442062) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID115442062
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESCC1CCC(CN)(C(=O)N2Cc3ccccc3C2)CC1
InChIInChI=1S/C17H24N2O/c1-13-6-8-17(12-18,9-7-13)16(20)19-10-14-4-2-3-5-15(14)11-19/h2-5,13H,6-12,18H2,1H3
InChIKeyGPYVVRDAHKXBSA-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669058
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride
CID 120930453
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
2-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856256
4-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-1,4-diazepan-2-one
CID 115442296
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
1-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylcyclohexane-1-carboxamide
CID 115441643
[1-(aminomethyl)-4-methylcyclohexyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 115442125
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone (CID 115442062) is [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone is CC1CCC(CN)(C(=O)N2Cc3ccccc3C2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is GPYVVRDAHKXBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-8-17(12-18,9-7-13)16(20)19-10-14-4-2-3-5-15(14)11-19/h2-5,13H,6-12,18H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 115442062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).