(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

C19H28N2O — CID 35583838

IUPAC(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC1CCCC1
InChIInChI=1S/C19H28N2O/c1-13-8-9-19-18(10-13)14(2)15(3)21(19)12-17(22)11-20-16-6-4-5-7-16/h8-10,16-17,20,22H,4-7,11-12H2,1-3H3/t17-/m1/s1
InChIKeyBTCPRWRCAYLSNL-QGZVFWFLSA-N
MW300.45 g/mol
LogP3.46
Rot. Bonds5

About (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (PubChem CID 35583838) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
PubChem CID35583838
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC1CCCC1
InChIInChI=1S/C19H28N2O/c1-13-8-9-19-18(10-13)14(2)15(3)21(19)12-17(22)11-20-16-6-4-5-7-16/h8-10,16-17,20,22H,4-7,11-12H2,1-3H3/t17-/m1/s1
InChIKeyBTCPRWRCAYLSNL-QGZVFWFLSA-N
XLogP3.46
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 7124980
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(cyclohexylamino)propan-2-ol
CID 42589633
(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583856
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089151
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
1-(cyclopropylamino)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 43343115

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (CID 35583838) is (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC1CCCC1.
What is the InChIKey of (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The InChIKey is BTCPRWRCAYLSNL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13-8-9-19-18(10-13)14(2)15(3)21(19)12-17(22)11-20-16-6-4-5-7-16/h8-10,16-17,20,22H,4-7,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol has a molecular weight of 300.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 35583838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).