1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine

C15H22N2 — CID 117333060

IUPAC1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine
SMILESCC(C)N1Cc2ccc(CC3(N)CC3)cc2C1
InChIInChI=1S/C15H22N2/c1-11(2)17-9-13-4-3-12(7-14(13)10-17)8-15(16)5-6-15/h3-4,7,11H,5-6,8-10,16H2,1-2H3
InChIKeyGQQRUMWYXONALV-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine

1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117333060) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine
PubChem CID117333060
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine
SMILESCC(C)N1Cc2ccc(CC3(N)CC3)cc2C1
InChIInChI=1S/C15H22N2/c1-11(2)17-9-13-4-3-12(7-14(13)10-17)8-15(16)5-6-15/h3-4,7,11H,5-6,8-10,16H2,1-2H3
InChIKeyGQQRUMWYXONALV-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83836841
5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 135197011
1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
CID 117436732
2,2-dimethyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117408085
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086277
1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117313154
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
ethyl 2-oxo-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetate
CID 117407563
1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117418146

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine (CID 117333060) is 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine is CC(C)N1Cc2ccc(CC3(N)CC3)cc2C1.
What is the InChIKey of 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is GQQRUMWYXONALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)17-9-13-4-3-12(7-14(13)10-17)8-15(16)5-6-15/h3-4,7,11H,5-6,8-10,16H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine?
1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117333060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).