pentan-1-amine;3-prop-2-enoxyprop-1-ene

C11H23NO — CID 87176321

IUPACpentan-1-amine;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCCCN
InChIInChI=1S/C6H10O.C5H13N/c1-3-5-7-6-4-2;1-2-3-4-5-6/h3-4H,1-2,5-6H2;2-6H2,1H3
InChIKeyJCZMOFAPDHMONH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds7

About pentan-1-amine;3-prop-2-enoxyprop-1-ene

pentan-1-amine;3-prop-2-enoxyprop-1-ene (PubChem CID 87176321) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is pentan-1-amine;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namepentan-1-amine;3-prop-2-enoxyprop-1-ene
PubChem CID87176321
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namepentan-1-amine;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCCCN
InChIInChI=1S/C6H10O.C5H13N/c1-3-5-7-6-4-2;1-2-3-4-5-6/h3-4H,1-2,5-6H2;2-6H2,1H3
InChIKeyJCZMOFAPDHMONH-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.51
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 pentan-1-amine;3-prop-2-enoxyprop-1-ene?
The IUPAC name of pentan-1-amine;3-prop-2-enoxyprop-1-ene (CID 87176321) is pentan-1-amine;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for pentan-1-amine;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for pentan-1-amine;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CCCCCN.
What is the InChIKey of pentan-1-amine;3-prop-2-enoxyprop-1-ene?
The InChIKey is JCZMOFAPDHMONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H13N/c1-3-5-7-6-4-2;1-2-3-4-5-6/h3-4H,1-2,5-6H2;2-6H2,1H3.
What are the key properties of pentan-1-amine;3-prop-2-enoxyprop-1-ene?
pentan-1-amine;3-prop-2-enoxyprop-1-ene has a molecular weight of 185.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-amine;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 87176321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).