propan-1-amine;6-propoxyhept-1-ene

C13H29NO — CID 142274403

IUPACpropan-1-amine;6-propoxyhept-1-ene
SMILESC=CCCCC(C)OCCC.CCCN
InChIInChI=1S/C10H20O.C3H9N/c1-4-6-7-8-10(3)11-9-5-2;1-2-3-4/h4,10H,1,5-9H2,2-3H3;2-4H2,1H3
InChIKeyBQLBHTINEONHGW-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.51
Rot. Bonds8

About propan-1-amine;6-propoxyhept-1-ene

propan-1-amine;6-propoxyhept-1-ene (PubChem CID 142274403) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is propan-1-amine;6-propoxyhept-1-ene.

Molecular Properties

Compound Namepropan-1-amine;6-propoxyhept-1-ene
PubChem CID142274403
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Namepropan-1-amine;6-propoxyhept-1-ene
SMILESC=CCCCC(C)OCCC.CCCN
InChIInChI=1S/C10H20O.C3H9N/c1-4-6-7-8-10(3)11-9-5-2;1-2-3-4/h4,10H,1,5-9H2,2-3H3;2-4H2,1H3
InChIKeyBQLBHTINEONHGW-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;6-propoxyhept-1-ene?
The IUPAC name of propan-1-amine;6-propoxyhept-1-ene (CID 142274403) is propan-1-amine;6-propoxyhept-1-ene.
What is the SMILES notation for propan-1-amine;6-propoxyhept-1-ene?
The canonical SMILES for propan-1-amine;6-propoxyhept-1-ene is C=CCCCC(C)OCCC.CCCN.
What is the InChIKey of propan-1-amine;6-propoxyhept-1-ene?
The InChIKey is BQLBHTINEONHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C3H9N/c1-4-6-7-8-10(3)11-9-5-2;1-2-3-4/h4,10H,1,5-9H2,2-3H3;2-4H2,1H3.
What are the key properties of propan-1-amine;6-propoxyhept-1-ene?
propan-1-amine;6-propoxyhept-1-ene has a molecular weight of 215.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;6-propoxyhept-1-ene is sourced from PubChem (CID 142274403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).