N-methyl-2-prop-2-enoxyethanamine;hydrochloride

C6H14ClNO — CID 154803684

IUPACN-methyl-2-prop-2-enoxyethanamine;hydrochloride
SMILESC=CCOCCNC.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-5-8-6-4-7-2;/h3,7H,1,4-6H2,2H3;1H
InChIKeyGSFPAGCPEXKEIJ-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.83
Rot. Bonds5

About N-methyl-2-prop-2-enoxyethanamine;hydrochloride

N-methyl-2-prop-2-enoxyethanamine;hydrochloride (PubChem CID 154803684) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is N-methyl-2-prop-2-enoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-prop-2-enoxyethanamine;hydrochloride
PubChem CID154803684
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC NameN-methyl-2-prop-2-enoxyethanamine;hydrochloride
SMILESC=CCOCCNC.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-5-8-6-4-7-2;/h3,7H,1,4-6H2,2H3;1H
InChIKeyGSFPAGCPEXKEIJ-UHFFFAOYSA-N
XLogP0.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.83
H-Bond Donors ≤ 51
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-methyl-2-prop-2-enoxyethanamine;hydrochloride?
The IUPAC name of N-methyl-2-prop-2-enoxyethanamine;hydrochloride (CID 154803684) is N-methyl-2-prop-2-enoxyethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-prop-2-enoxyethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-prop-2-enoxyethanamine;hydrochloride is C=CCOCCNC.Cl.
What is the InChIKey of N-methyl-2-prop-2-enoxyethanamine;hydrochloride?
The InChIKey is GSFPAGCPEXKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-5-8-6-4-7-2;/h3,7H,1,4-6H2,2H3;1H.
What are the key properties of N-methyl-2-prop-2-enoxyethanamine;hydrochloride?
N-methyl-2-prop-2-enoxyethanamine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-enoxyethanamine;hydrochloride is sourced from PubChem (CID 154803684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).