1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol

C10H21NO — CID 89249132

IUPAC1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol
SMILESCC(C)CC1CC1N(C)C(C)O
InChIInChI=1S/C10H21NO/c1-7(2)5-9-6-10(9)11(4)8(3)12/h7-10,12H,5-6H2,1-4H3
InChIKeyWCXQELYRVIAPST-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.69
Rot. Bonds4

About 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol

1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol (PubChem CID 89249132) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol.

Molecular Properties

Compound Name1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol
PubChem CID89249132
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol
SMILESCC(C)CC1CC1N(C)C(C)O
InChIInChI=1S/C10H21NO/c1-7(2)5-9-6-10(9)11(4)8(3)12/h7-10,12H,5-6H2,1-4H3
InChIKeyWCXQELYRVIAPST-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol?
The IUPAC name of 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol (CID 89249132) is 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol.
What is the SMILES notation for 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol?
The canonical SMILES for 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol is CC(C)CC1CC1N(C)C(C)O.
What is the InChIKey of 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol?
The InChIKey is WCXQELYRVIAPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)5-9-6-10(9)11(4)8(3)12/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol?
1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol is sourced from PubChem (CID 89249132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).