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

C14H22N2 — CID 43372441

IUPAC2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
SMILESCC(C)CC(C)N1Cc2cccc(N)c2C1
InChIInChI=1S/C14H22N2/c1-10(2)7-11(3)16-8-12-5-4-6-14(15)13(12)9-16/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyRVWRJSROPATUIA-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.02
Rot. Bonds3

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

2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine (PubChem CID 43372441) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
PubChem CID43372441
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
SMILESCC(C)CC(C)N1Cc2cccc(N)c2C1
InChIInChI=1S/C14H22N2/c1-10(2)7-11(3)16-8-12-5-4-6-14(15)13(12)9-16/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyRVWRJSROPATUIA-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine
CID 61470514
2-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-amine
CID 54958949
2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine
CID 62405781
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 114167883
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154
2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 104592131
2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 114832254
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522186
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114524003
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine (CID 43372441) is 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine is CC(C)CC(C)N1Cc2cccc(N)c2C1.
What is the InChIKey of 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine?
The InChIKey is RVWRJSROPATUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)7-11(3)16-8-12-5-4-6-14(15)13(12)9-16/h4-6,10-11H,7-9,15H2,1-3H3.
What are the key properties of 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine?
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine has a molecular weight of 218.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43372441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).