N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine

C9H19NO — CID 139904425

IUPACN-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine
SMILESC=CCOCCCN(C)CC
InChIInChI=1S/C9H19NO/c1-4-8-11-9-6-7-10(3)5-2/h4H,1,5-9H2,2-3H3
InChIKeyHYYFEGLZIOLXOK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.53
Rot. Bonds7

About N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine

N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine (PubChem CID 139904425) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine
PubChem CID139904425
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine
SMILESC=CCOCCCN(C)CC
InChIInChI=1S/C9H19NO/c1-4-8-11-9-6-7-10(3)5-2/h4H,1,5-9H2,2-3H3
InChIKeyHYYFEGLZIOLXOK-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine (CID 139904425) is N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine is C=CCOCCCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine?
The InChIKey is HYYFEGLZIOLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8-11-9-6-7-10(3)5-2/h4H,1,5-9H2,2-3H3.
What are the key properties of N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine?
N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 139904425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).