N,N-dimethyl-1-prop-2-enoxymethanamine

C6H13NO — CID 87233768

IUPACN,N-dimethyl-1-prop-2-enoxymethanamine
SMILESC=CCOCN(C)C
InChIInChI=1S/C6H13NO/c1-4-5-8-6-7(2)3/h4H,1,5-6H2,2-3H3
InChIKeyQCVAHQFGWGZVQM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.71
Rot. Bonds4

About N,N-dimethyl-1-prop-2-enoxymethanamine

N,N-dimethyl-1-prop-2-enoxymethanamine (PubChem CID 87233768) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N,N-dimethyl-1-prop-2-enoxymethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-prop-2-enoxymethanamine
PubChem CID87233768
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN,N-dimethyl-1-prop-2-enoxymethanamine
SMILESC=CCOCN(C)C
InChIInChI=1S/C6H13NO/c1-4-5-8-6-7(2)3/h4H,1,5-6H2,2-3H3
InChIKeyQCVAHQFGWGZVQM-UHFFFAOYSA-N
XLogP0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.71
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,N-dimethyl-1-prop-2-enoxymethanamine?
The IUPAC name of N,N-dimethyl-1-prop-2-enoxymethanamine (CID 87233768) is N,N-dimethyl-1-prop-2-enoxymethanamine.
What is the SMILES notation for N,N-dimethyl-1-prop-2-enoxymethanamine?
The canonical SMILES for N,N-dimethyl-1-prop-2-enoxymethanamine is C=CCOCN(C)C.
What is the InChIKey of N,N-dimethyl-1-prop-2-enoxymethanamine?
The InChIKey is QCVAHQFGWGZVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5-8-6-7(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of N,N-dimethyl-1-prop-2-enoxymethanamine?
N,N-dimethyl-1-prop-2-enoxymethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-prop-2-enoxymethanamine is sourced from PubChem (CID 87233768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).