1-pentoxy-N-propoxymethanamine

C9H21NO2 — CID 138714447

IUPAC1-pentoxy-N-propoxymethanamine
SMILESCCCCCOCNOCCC
InChIInChI=1S/C9H21NO2/c1-3-5-6-8-11-9-10-12-7-4-2/h10H,3-9H2,1-2H3
InChIKeyWYFJUWJYSDEFQZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.08
Rot. Bonds9

About 1-pentoxy-N-propoxymethanamine

1-pentoxy-N-propoxymethanamine (PubChem CID 138714447) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-pentoxy-N-propoxymethanamine.

Molecular Properties

Compound Name1-pentoxy-N-propoxymethanamine
PubChem CID138714447
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-pentoxy-N-propoxymethanamine
SMILESCCCCCOCNOCCC
InChIInChI=1S/C9H21NO2/c1-3-5-6-8-11-9-10-12-7-4-2/h10H,3-9H2,1-2H3
InChIKeyWYFJUWJYSDEFQZ-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pentoxymethanamine
CID 88850300
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
CID 159860963
CID 159860963
N-(heptoxymethyl)ethanamine
CID 123451436
pentane;1-propoxypentane
CID 174500651
N-heptoxyethanamine
CID 88792401
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-N-propoxymethanamine?
The IUPAC name of 1-pentoxy-N-propoxymethanamine (CID 138714447) is 1-pentoxy-N-propoxymethanamine.
What is the SMILES notation for 1-pentoxy-N-propoxymethanamine?
The canonical SMILES for 1-pentoxy-N-propoxymethanamine is CCCCCOCNOCCC.
What is the InChIKey of 1-pentoxy-N-propoxymethanamine?
The InChIKey is WYFJUWJYSDEFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-5-6-8-11-9-10-12-7-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-pentoxy-N-propoxymethanamine?
1-pentoxy-N-propoxymethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-N-propoxymethanamine is sourced from PubChem (CID 138714447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).