3-pentoxy-N-prop-1-en-2-ylpropan-1-amine

C11H23NO — CID 155455316

IUPAC3-pentoxy-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCCCOCCCCC
InChIInChI=1S/C11H23NO/c1-4-5-6-9-13-10-7-8-12-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyZZDMHDDXDWHHMV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.71
Rot. Bonds9

About 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine

3-pentoxy-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 155455316) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-pentoxy-N-prop-1-en-2-ylpropan-1-amine
PubChem CID155455316
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-pentoxy-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCCCOCCCCC
InChIInChI=1S/C11H23NO/c1-4-5-6-9-13-10-7-8-12-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyZZDMHDDXDWHHMV-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine (CID 155455316) is 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine is C=C(C)NCCCOCCCCC.
What is the InChIKey of 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is ZZDMHDDXDWHHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-9-13-10-7-8-12-11(2)3/h12H,2,4-10H2,1,3H3.
What are the key properties of 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine?
3-pentoxy-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 155455316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).