[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol

C18H26N2O — CID 79634509

IUPAC[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O/c21-13-18(19-16-7-8-16)9-3-6-17(10-18)20-11-14-4-1-2-5-15(14)12-20/h1-2,4-5,16-17,19,21H,3,6-13H2
InChIKeyQLFIWHWIZUUCLN-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.43
Rot. Bonds4

About [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol (PubChem CID 79634509) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
PubChem CID79634509
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O/c21-13-18(19-16-7-8-16)9-3-6-17(10-18)20-11-14-4-1-2-5-15(14)12-20/h1-2,4-5,16-17,19,21H,3,6-13H2
InChIKeyQLFIWHWIZUUCLN-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol (CID 79634509) is [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol is OCC1(NC2CC2)CCCC(N2Cc3ccccc3C2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol?
The InChIKey is QLFIWHWIZUUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-13-18(19-16-7-8-16)9-3-6-17(10-18)20-11-14-4-1-2-5-15(14)12-20/h1-2,4-5,16-17,19,21H,3,6-13H2.
What are the key properties of [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol has a molecular weight of 286.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 79634509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).