1-cyclopropyl-2-(propan-2-ylamino)ethanol

C8H17NO — CID 62773542

IUPAC1-cyclopropyl-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1CC1
InChIInChI=1S/C8H17NO/c1-6(2)9-5-8(10)7-3-4-7/h6-10H,3-5H2,1-2H3
InChIKeyYIKKMHWPQWEBSG-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds4

About 1-cyclopropyl-2-(propan-2-ylamino)ethanol

1-cyclopropyl-2-(propan-2-ylamino)ethanol (PubChem CID 62773542) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(propan-2-ylamino)ethanol
PubChem CID62773542
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-cyclopropyl-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1CC1
InChIInChI=1S/C8H17NO/c1-6(2)9-5-8(10)7-3-4-7/h6-10H,3-5H2,1-2H3
InChIKeyYIKKMHWPQWEBSG-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(propan-2-ylamino)ethanol (CID 62773542) is 1-cyclopropyl-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(propan-2-ylamino)ethanol?
The InChIKey is YIKKMHWPQWEBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)9-5-8(10)7-3-4-7/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(propan-2-ylamino)ethanol?
1-cyclopropyl-2-(propan-2-ylamino)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 62773542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).