(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane

C12H25NO — CID 143080229

IUPAC(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane
SMILESCC1CC1.CCO/C(=C\C(C)C)CN
InChIInChI=1S/C8H17NO.C4H8/c1-4-10-8(6-9)5-7(2)3;1-4-2-3-4/h5,7H,4,6,9H2,1-3H3;4H,2-3H2,1H3/b8-5-;
InChIKeyBVTPHCZKNIZGGS-HGKIGUAWSA-N
MW199.34 g/mol
LogP2.94
Rot. Bonds4

About (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane

(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane (PubChem CID 143080229) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane.

Molecular Properties

Compound Name(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane
PubChem CID143080229
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane
SMILESCC1CC1.CCO/C(=C\C(C)C)CN
InChIInChI=1S/C8H17NO.C4H8/c1-4-10-8(6-9)5-7(2)3;1-4-2-3-4/h5,7H,4,6,9H2,1-3H3;4H,2-3H2,1H3/b8-5-;
InChIKeyBVTPHCZKNIZGGS-HGKIGUAWSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane?
The IUPAC name of (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane (CID 143080229) is (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane.
What is the SMILES notation for (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane?
The canonical SMILES for (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane is CC1CC1.CCO/C(=C\C(C)C)CN.
What is the InChIKey of (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane?
The InChIKey is BVTPHCZKNIZGGS-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H17NO.C4H8/c1-4-10-8(6-9)5-7(2)3;1-4-2-3-4/h5,7H,4,6,9H2,1-3H3;4H,2-3H2,1H3/b8-5-;.
What are the key properties of (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane?
(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane has a molecular weight of 199.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane is sourced from PubChem (CID 143080229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).