N,N-diethyl-1-prop-2-enoxypropan-1-amine

C10H21NO — CID 139707320

IUPACN,N-diethyl-1-prop-2-enoxypropan-1-amine
SMILESC=CCOC(CC)N(CC)CC
InChIInChI=1S/C10H21NO/c1-5-9-12-10(6-2)11(7-3)8-4/h5,10H,1,6-9H2,2-4H3
InChIKeyXLMUQJXHFKDOFE-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.27
Rot. Bonds7

About N,N-diethyl-1-prop-2-enoxypropan-1-amine

N,N-diethyl-1-prop-2-enoxypropan-1-amine (PubChem CID 139707320) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,N-diethyl-1-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-prop-2-enoxypropan-1-amine
PubChem CID139707320
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,N-diethyl-1-prop-2-enoxypropan-1-amine
SMILESC=CCOC(CC)N(CC)CC
InChIInChI=1S/C10H21NO/c1-5-9-12-10(6-2)11(7-3)8-4/h5,10H,1,6-9H2,2-4H3
InChIKeyXLMUQJXHFKDOFE-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-prop-2-enoxypropan-1-amine?
The IUPAC name of N,N-diethyl-1-prop-2-enoxypropan-1-amine (CID 139707320) is N,N-diethyl-1-prop-2-enoxypropan-1-amine.
What is the SMILES notation for N,N-diethyl-1-prop-2-enoxypropan-1-amine?
The canonical SMILES for N,N-diethyl-1-prop-2-enoxypropan-1-amine is C=CCOC(CC)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-prop-2-enoxypropan-1-amine?
The InChIKey is XLMUQJXHFKDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9-12-10(6-2)11(7-3)8-4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of N,N-diethyl-1-prop-2-enoxypropan-1-amine?
N,N-diethyl-1-prop-2-enoxypropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 139707320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).