N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride

C9H20ClNO — CID 174866772

IUPACN,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride
SMILESC=CCOCC=C.CN(C)C.Cl
InChIInChI=1S/C6H10O.C3H9N.ClH/c1-3-5-7-6-4-2;1-4(2)3;/h3-4H,1-2,5-6H2;1-3H3;1H
InChIKeyBPEVSZSZUNKTFW-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.97
Rot. Bonds4

About N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride

N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride (PubChem CID 174866772) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride
PubChem CID174866772
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC NameN,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride
SMILESC=CCOCC=C.CN(C)C.Cl
InChIInChI=1S/C6H10O.C3H9N.ClH/c1-3-5-7-6-4-2;1-4(2)3;/h3-4H,1-2,5-6H2;1-3H3;1H
InChIKeyBPEVSZSZUNKTFW-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.97
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,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride?
The IUPAC name of N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride (CID 174866772) is N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride is C=CCOCC=C.CN(C)C.Cl.
What is the InChIKey of N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride?
The InChIKey is BPEVSZSZUNKTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H9N.ClH/c1-3-5-7-6-4-2;1-4(2)3;/h3-4H,1-2,5-6H2;1-3H3;1H.
What are the key properties of N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride?
N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride is sourced from PubChem (CID 174866772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).