N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine

C13H18N2 — CID 103998248

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
SMILESc1cc2c(cc1CNC1CCC1)CNC2
InChIInChI=1S/C13H18N2/c1-2-13(3-1)15-7-10-4-5-11-8-14-9-12(11)6-10/h4-6,13-15H,1-3,7-9H2
InChIKeyYWAMRWRTMZQBQZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.93
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine (PubChem CID 103998248) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
PubChem CID103998248
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
SMILESc1cc2c(cc1CNC1CCC1)CNC2
InChIInChI=1S/C13H18N2/c1-2-13(3-1)15-7-10-4-5-11-8-14-9-12(11)6-10/h4-6,13-15H,1-3,7-9H2
InChIKeyYWAMRWRTMZQBQZ-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 114547417
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
CID 61151262
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine
CID 113250129
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
3-[(cyclobutylamino)methyl]phenol
CID 62416890
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 146092570
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine (CID 103998248) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine is c1cc2c(cc1CNC1CCC1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine?
The InChIKey is YWAMRWRTMZQBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-13(3-1)15-7-10-4-5-11-8-14-9-12(11)6-10/h4-6,13-15H,1-3,7-9H2.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine has a molecular weight of 202.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine is sourced from PubChem (CID 103998248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).