4-(1,3-dihydroisoindol-2-yl)butan-1-amine

C12H18N2 — CID 62205174

IUPAC4-(1,3-dihydroisoindol-2-yl)butan-1-amine
SMILESNCCCCN1Cc2ccccc2C1
InChIInChI=1S/C12H18N2/c13-7-3-4-8-14-9-11-5-1-2-6-12(11)10-14/h1-2,5-6H,3-4,7-10,13H2
InChIKeyWRXRCHCRYZOLLB-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.74
Rot. Bonds4

About 4-(1,3-dihydroisoindol-2-yl)butan-1-amine

4-(1,3-dihydroisoindol-2-yl)butan-1-amine (PubChem CID 62205174) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)butan-1-amine
PubChem CID62205174
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(1,3-dihydroisoindol-2-yl)butan-1-amine
SMILESNCCCCN1Cc2ccccc2C1
InChIInChI=1S/C12H18N2/c13-7-3-4-8-14-9-11-5-1-2-6-12(11)10-14/h1-2,5-6H,3-4,7-10,13H2
InChIKeyWRXRCHCRYZOLLB-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
4-(1,3-dihydroisoindol-2-yl)butanal
CID 115017901
4-(1,3-dihydroisoindol-2-yl)butanenitrile
CID 62205378
4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-1-amine
CID 22397692
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
CID 64786644
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)butan-1-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)butan-1-amine (CID 62205174) is 4-(1,3-dihydroisoindol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)butan-1-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)butan-1-amine is NCCCCN1Cc2ccccc2C1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)butan-1-amine?
The InChIKey is WRXRCHCRYZOLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-7-3-4-8-14-9-11-5-1-2-6-12(11)10-14/h1-2,5-6H,3-4,7-10,13H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)butan-1-amine?
4-(1,3-dihydroisoindol-2-yl)butan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)butan-1-amine is sourced from PubChem (CID 62205174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).