N-prop-2-ynoxypropan-1-amine

C6H11NO — CID 130722223

IUPACN-prop-2-ynoxypropan-1-amine
SMILESC#CCONCCC
InChIInChI=1S/C6H11NO/c1-3-5-7-8-6-4-2/h2,7H,3,5-6H2,1H3
InChIKeyFTKZMQGFXZMOFP-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.55
Rot. Bonds4

About N-prop-2-ynoxypropan-1-amine

N-prop-2-ynoxypropan-1-amine (PubChem CID 130722223) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-prop-2-ynoxypropan-1-amine.

Molecular Properties

Compound NameN-prop-2-ynoxypropan-1-amine
PubChem CID130722223
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-prop-2-ynoxypropan-1-amine
SMILESC#CCONCCC
InChIInChI=1S/C6H11NO/c1-3-5-7-8-6-4-2/h2,7H,3,5-6H2,1H3
InChIKeyFTKZMQGFXZMOFP-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynoxypropan-1-amine?
The IUPAC name of N-prop-2-ynoxypropan-1-amine (CID 130722223) is N-prop-2-ynoxypropan-1-amine.
What is the SMILES notation for N-prop-2-ynoxypropan-1-amine?
The canonical SMILES for N-prop-2-ynoxypropan-1-amine is C#CCONCCC.
What is the InChIKey of N-prop-2-ynoxypropan-1-amine?
The InChIKey is FTKZMQGFXZMOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5-7-8-6-4-2/h2,7H,3,5-6H2,1H3.
What are the key properties of N-prop-2-ynoxypropan-1-amine?
N-prop-2-ynoxypropan-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynoxypropan-1-amine is sourced from PubChem (CID 130722223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).