2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol

C16H24N2O — CID 64788187

IUPAC2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)(CCN1Cc2ccccc2C1)NC1CC1
InChIInChI=1S/C16H24N2O/c1-16(12-19,17-15-6-7-15)8-9-18-10-13-4-2-3-5-14(13)11-18/h2-5,15,17,19H,6-12H2,1H3
InChIKeyMFLSKVBGQOCGOM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.90
Rot. Bonds6

About 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol

2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol (PubChem CID 64788187) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol
PubChem CID64788187
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)(CCN1Cc2ccccc2C1)NC1CC1
InChIInChI=1S/C16H24N2O/c1-16(12-19,17-15-6-7-15)8-9-18-10-13-4-2-3-5-14(13)11-18/h2-5,15,17,19H,6-12H2,1H3
InChIKeyMFLSKVBGQOCGOM-UHFFFAOYSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol (CID 64788187) is 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol is CC(CO)(CCN1Cc2ccccc2C1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol?
The InChIKey is MFLSKVBGQOCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(12-19,17-15-6-7-15)8-9-18-10-13-4-2-3-5-14(13)11-18/h2-5,15,17,19H,6-12H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol?
2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 64788187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).