[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol

C16H24N2O — CID 103838416

IUPAC[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
SMILESCN1CCc2cc(CNC3CCCC3CO)ccc21
InChIInChI=1S/C16H24N2O/c1-18-8-7-13-9-12(5-6-16(13)18)10-17-15-4-2-3-14(15)11-19/h5-6,9,14-15,17,19H,2-4,7-8,10-11H2,1H3
InChIKeySPFNIJNXFRUTRQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.93
Rot. Bonds4

About [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol

[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol (PubChem CID 103838416) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
PubChem CID103838416
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
SMILESCN1CCc2cc(CNC3CCCC3CO)ccc21
InChIInChI=1S/C16H24N2O/c1-18-8-7-13-9-12(5-6-16(13)18)10-17-15-4-2-3-14(15)11-19/h5-6,9,14-15,17,19H,2-4,7-8,10-11H2,1H3
InChIKeySPFNIJNXFRUTRQ-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62095806
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 25219747
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]cyclopentane-1-carbonitrile
CID 62963122
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62096160
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolan-3-amine
CID 115337256
3-ethyl-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 64922906
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol (CID 103838416) is [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol is CN1CCc2cc(CNC3CCCC3CO)ccc21.
What is the InChIKey of [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol?
The InChIKey is SPFNIJNXFRUTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-8-7-13-9-12(5-6-16(13)18)10-17-15-4-2-3-14(15)11-19/h5-6,9,14-15,17,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol?
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 103838416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).