1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one

C18H26N2O — CID 82175305

IUPAC1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
SMILESCCC(=O)N1Cc2ccc(C(N)C3CCCCC3)cc2C1
InChIInChI=1S/C18H26N2O/c1-2-17(21)20-11-15-9-8-14(10-16(15)12-20)18(19)13-6-4-3-5-7-13/h8-10,13,18H,2-7,11-12,19H2,1H3
InChIKeyNDWNRWFWFRSPRC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.52
Rot. Bonds3

About 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one

1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one (PubChem CID 82175305) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
PubChem CID82175305
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
SMILESCCC(=O)N1Cc2ccc(C(N)C3CCCCC3)cc2C1
InChIInChI=1S/C18H26N2O/c1-2-17(21)20-11-15-9-8-14(10-16(15)12-20)18(19)13-6-4-3-5-7-13/h8-10,13,18H,2-7,11-12,19H2,1H3
InChIKeyNDWNRWFWFRSPRC-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(1-amino-2-methylbutyl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 82175296
1-[5-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
CID 82175323
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267
(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
CID 153453871
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 93208504
1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 24719869
methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
1-[5-[amino-(4-methylphenyl)methyl]-1,3-dihydroisoindol-2-yl]-2-methoxyethanone
CID 82175402
5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211702
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814

Frequently Asked Questions

What is the IUPAC name of 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one?
The IUPAC name of 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one (CID 82175305) is 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one is CCC(=O)N1Cc2ccc(C(N)C3CCCCC3)cc2C1.
What is the InChIKey of 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one?
The InChIKey is NDWNRWFWFRSPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-17(21)20-11-15-9-8-14(10-16(15)12-20)18(19)13-6-4-3-5-7-13/h8-10,13,18H,2-7,11-12,19H2,1H3.
What are the key properties of 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one?
1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one is sourced from PubChem (CID 82175305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).