1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol

C10H21NO2 — CID 63298778

IUPAC1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol
SMILESCOCCC(C)NCC(O)C1CC1
InChIInChI=1S/C10H21NO2/c1-8(5-6-13-2)11-7-10(12)9-3-4-9/h8-12H,3-7H2,1-2H3
InChIKeyKPMNDTJHPKHIPZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds7

About 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol

1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol (PubChem CID 63298778) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol
PubChem CID63298778
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol
SMILESCOCCC(C)NCC(O)C1CC1
InChIInChI=1S/C10H21NO2/c1-8(5-6-13-2)11-7-10(12)9-3-4-9/h8-12H,3-7H2,1-2H3
InChIKeyKPMNDTJHPKHIPZ-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol (CID 63298778) is 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol is COCCC(C)NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol?
The InChIKey is KPMNDTJHPKHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(5-6-13-2)11-7-10(12)9-3-4-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol?
1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methoxybutan-2-ylamino)ethanol is sourced from PubChem (CID 63298778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).