2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol

C10H21NO2 — CID 165465603

IUPAC2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol
SMILESCC(C)C1(CO)CC1CNCCO
InChIInChI=1S/C10H21NO2/c1-8(2)10(7-13)5-9(10)6-11-3-4-12/h8-9,11-13H,3-7H2,1-2H3
InChIKeyFCWOLAGTYDVLHT-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.22
Rot. Bonds6

About 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol

2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol (PubChem CID 165465603) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol
PubChem CID165465603
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol
SMILESCC(C)C1(CO)CC1CNCCO
InChIInChI=1S/C10H21NO2/c1-8(2)10(7-13)5-9(10)6-11-3-4-12/h8-9,11-13H,3-7H2,1-2H3
InChIKeyFCWOLAGTYDVLHT-UHFFFAOYSA-N
XLogP0.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol?
The IUPAC name of 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol (CID 165465603) is 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol is CC(C)C1(CO)CC1CNCCO.
What is the InChIKey of 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol?
The InChIKey is FCWOLAGTYDVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)10(7-13)5-9(10)6-11-3-4-12/h8-9,11-13H,3-7H2,1-2H3.
What are the key properties of 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol?
2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol has a molecular weight of 187.28 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-2-propan-2-ylcyclopropyl]methylamino]ethanol is sourced from PubChem (CID 165465603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).