N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene

C10H21NO — CID 155698338

IUPACN-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene
SMILESC=CC.C=CCOCN(C)CC
InChIInChI=1S/C7H15NO.C3H6/c1-4-6-9-7-8(3)5-2;1-3-2/h4H,1,5-7H2,2-3H3;3H,1H2,2H3
InChIKeyLXBGQLYSHNTWNZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene

N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene (PubChem CID 155698338) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene.

Molecular Properties

Compound NameN-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene
PubChem CID155698338
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene
SMILESC=CC.C=CCOCN(C)CC
InChIInChI=1S/C7H15NO.C3H6/c1-4-6-9-7-8(3)5-2;1-3-2/h4H,1,5-7H2,2-3H3;3H,1H2,2H3
InChIKeyLXBGQLYSHNTWNZ-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene?
The IUPAC name of N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene (CID 155698338) is N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene.
What is the SMILES notation for N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene?
The canonical SMILES for N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene is C=CC.C=CCOCN(C)CC.
What is the InChIKey of N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene?
The InChIKey is LXBGQLYSHNTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H6/c1-4-6-9-7-8(3)5-2;1-3-2/h4H,1,5-7H2,2-3H3;3H,1H2,2H3.
What are the key properties of N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene?
N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene has a molecular weight of 171.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene is sourced from PubChem (CID 155698338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).