3-pent-3-ynoxypropan-1-amine

C8H15NO — CID 104808630

IUPAC3-pent-3-ynoxypropan-1-amine
SMILESCC#CCCOCCCN
InChIInChI=1S/C8H15NO/c1-2-3-4-7-10-8-5-6-9/h4-9H2,1H3
InChIKeyMLVKLRPHTACNQN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds5

About 3-pent-3-ynoxypropan-1-amine

3-pent-3-ynoxypropan-1-amine (PubChem CID 104808630) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-pent-3-ynoxypropan-1-amine.

Molecular Properties

Compound Name3-pent-3-ynoxypropan-1-amine
PubChem CID104808630
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-pent-3-ynoxypropan-1-amine
SMILESCC#CCCOCCCN
InChIInChI=1S/C8H15NO/c1-2-3-4-7-10-8-5-6-9/h4-9H2,1H3
InChIKeyMLVKLRPHTACNQN-UHFFFAOYSA-N
XLogP0.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
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 3-pent-3-ynoxypropan-1-amine?
The IUPAC name of 3-pent-3-ynoxypropan-1-amine (CID 104808630) is 3-pent-3-ynoxypropan-1-amine.
What is the SMILES notation for 3-pent-3-ynoxypropan-1-amine?
The canonical SMILES for 3-pent-3-ynoxypropan-1-amine is CC#CCCOCCCN.
What is the InChIKey of 3-pent-3-ynoxypropan-1-amine?
The InChIKey is MLVKLRPHTACNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-7-10-8-5-6-9/h4-9H2,1H3.
What are the key properties of 3-pent-3-ynoxypropan-1-amine?
3-pent-3-ynoxypropan-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-3-ynoxypropan-1-amine is sourced from PubChem (CID 104808630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).