N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine

C8H17NO — CID 13109462

IUPACN-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
SMILESCCNC1(OC)CC1(C)C
InChIInChI=1S/C8H17NO/c1-5-9-8(10-4)6-7(8,2)3/h9H,5-6H2,1-4H3
InChIKeyZZDVGQYMNPDVDC-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds3

About N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine

N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine (PubChem CID 13109462) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
PubChem CID13109462
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
SMILESCCNC1(OC)CC1(C)C
InChIInChI=1S/C8H17NO/c1-5-9-8(10-4)6-7(8,2)3/h9H,5-6H2,1-4H3
InChIKeyZZDVGQYMNPDVDC-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine (CID 13109462) is N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine is CCNC1(OC)CC1(C)C.
What is the InChIKey of N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
The InChIKey is ZZDVGQYMNPDVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-9-8(10-4)6-7(8,2)3/h9H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 13109462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).