1-cyclopropyl-2-(prop-2-ynylamino)ethanol

C8H13NO — CID 63299078

IUPAC1-cyclopropyl-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)C1CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-6-8(10)7-3-4-7/h1,7-10H,3-6H2
InChIKeyFMMOGRZENJZRNP-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.02
Rot. Bonds4

About 1-cyclopropyl-2-(prop-2-ynylamino)ethanol

1-cyclopropyl-2-(prop-2-ynylamino)ethanol (PubChem CID 63299078) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-(prop-2-ynylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(prop-2-ynylamino)ethanol
PubChem CID63299078
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-cyclopropyl-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)C1CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-6-8(10)7-3-4-7/h1,7-10H,3-6H2
InChIKeyFMMOGRZENJZRNP-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(prop-2-ynylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(prop-2-ynylamino)ethanol (CID 63299078) is 1-cyclopropyl-2-(prop-2-ynylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(prop-2-ynylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(prop-2-ynylamino)ethanol is C#CCNCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(prop-2-ynylamino)ethanol?
The InChIKey is FMMOGRZENJZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-5-9-6-8(10)7-3-4-7/h1,7-10H,3-6H2.
What are the key properties of 1-cyclopropyl-2-(prop-2-ynylamino)ethanol?
1-cyclopropyl-2-(prop-2-ynylamino)ethanol has a molecular weight of 139.20 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(prop-2-ynylamino)ethanol is sourced from PubChem (CID 63299078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).