2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine

C15H22N2 — CID 55260832

IUPAC2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCC1(CN2Cc3ccc(N)cc3C2)CCCC1
InChIInChI=1S/C15H22N2/c1-15(6-2-3-7-15)11-17-9-12-4-5-14(16)8-13(12)10-17/h4-5,8H,2-3,6-7,9-11,16H2,1H3
InChIKeyDJQRQJPDSPFPAS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.16
Rot. Bonds2

About 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine

2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 55260832) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID55260832
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCC1(CN2Cc3ccc(N)cc3C2)CCCC1
InChIInChI=1S/C15H22N2/c1-15(6-2-3-7-15)11-17-9-12-4-5-14(16)8-13(12)10-17/h4-5,8H,2-3,6-7,9-11,16H2,1H3
InChIKeyDJQRQJPDSPFPAS-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine (CID 55260832) is 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine is CC1(CN2Cc3ccc(N)cc3C2)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is DJQRQJPDSPFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(6-2-3-7-15)11-17-9-12-4-5-14(16)8-13(12)10-17/h4-5,8H,2-3,6-7,9-11,16H2,1H3.
What are the key properties of 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 230.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 55260832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).