1,1-dipropoxy-N-propylmethanimine

C10H21NO2 — CID 10932179

IUPAC1,1-dipropoxy-N-propylmethanimine
SMILESCCCN=C(OCCC)OCCC
InChIInChI=1S/C10H21NO2/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyFCYRVVYIQLPBQN-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.61
Rot. Bonds6

About 1,1-dipropoxy-N-propylmethanimine

1,1-dipropoxy-N-propylmethanimine (PubChem CID 10932179) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1,1-dipropoxy-N-propylmethanimine.

Molecular Properties

Compound Name1,1-dipropoxy-N-propylmethanimine
PubChem CID10932179
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1,1-dipropoxy-N-propylmethanimine
SMILESCCCN=C(OCCC)OCCC
InChIInChI=1S/C10H21NO2/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyFCYRVVYIQLPBQN-UHFFFAOYSA-N
XLogP2.61
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dipropoxy-N-propylmethanimine?
The IUPAC name of 1,1-dipropoxy-N-propylmethanimine (CID 10932179) is 1,1-dipropoxy-N-propylmethanimine.
What is the SMILES notation for 1,1-dipropoxy-N-propylmethanimine?
The canonical SMILES for 1,1-dipropoxy-N-propylmethanimine is CCCN=C(OCCC)OCCC.
What is the InChIKey of 1,1-dipropoxy-N-propylmethanimine?
The InChIKey is FCYRVVYIQLPBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of 1,1-dipropoxy-N-propylmethanimine?
1,1-dipropoxy-N-propylmethanimine has a molecular weight of 187.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropoxy-N-propylmethanimine is sourced from PubChem (CID 10932179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).