1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine

C8H17NO — CID 123561842

IUPAC1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine
SMILESCOC(C1CC1C)N(C)C
InChIInChI=1S/C8H17NO/c1-6-5-7(6)8(10-4)9(2)3/h6-8H,5H2,1-4H3
InChIKeySMMVFWQDRUDAMF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.18
Rot. Bonds3

About 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine

1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 123561842) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine
PubChem CID123561842
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine
SMILESCOC(C1CC1C)N(C)C
InChIInChI=1S/C8H17NO/c1-6-5-7(6)8(10-4)9(2)3/h6-8H,5H2,1-4H3
InChIKeySMMVFWQDRUDAMF-UHFFFAOYSA-N
XLogP1.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine (CID 123561842) is 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine is COC(C1CC1C)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is SMMVFWQDRUDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-5-7(6)8(10-4)9(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine?
1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 123561842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).