[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

C12H18N2O — CID 112713465

IUPAC[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESCC(N)CC1=CC=CC2NC(CO)=CC12
InChIInChI=1S/C12H18N2O/c1-8(13)5-9-3-2-4-12-11(9)6-10(7-15)14-12/h2-4,6,8,11-12,14-15H,5,7,13H2,1H3
InChIKeyXPEPCDMCDXKVEF-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.68
Rot. Bonds3

About [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (PubChem CID 112713465) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
PubChem CID112713465
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESCC(N)CC1=CC=CC2NC(CO)=CC12
InChIInChI=1S/C12H18N2O/c1-8(13)5-9-3-2-4-12-11(9)6-10(7-15)14-12/h2-4,6,8,11-12,14-15H,5,7,13H2,1H3
InChIKeyXPEPCDMCDXKVEF-UHFFFAOYSA-N
XLogP0.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The IUPAC name of [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (CID 112713465) is [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The canonical SMILES for [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is CC(N)CC1=CC=CC2NC(CO)=CC12.
What is the InChIKey of [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The InChIKey is XPEPCDMCDXKVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(13)5-9-3-2-4-12-11(9)6-10(7-15)14-12/h2-4,6,8,11-12,14-15H,5,7,13H2,1H3.
What are the key properties of [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 112713465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).