N-ethyl-4-methoxy-2-methylpent-1-en-3-amine

C9H19NO — CID 79616696

IUPACN-ethyl-4-methoxy-2-methylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)OC
InChIInChI=1S/C9H19NO/c1-6-10-9(7(2)3)8(4)11-5/h8-10H,2,6H2,1,3-5H3
InChIKeyXZLUCSACZOFGGP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-4-methoxy-2-methylpent-1-en-3-amine

N-ethyl-4-methoxy-2-methylpent-1-en-3-amine (PubChem CID 79616696) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-methylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-methylpent-1-en-3-amine
PubChem CID79616696
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-4-methoxy-2-methylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)OC
InChIInChI=1S/C9H19NO/c1-6-10-9(7(2)3)8(4)11-5/h8-10H,2,6H2,1,3-5H3
InChIKeyXZLUCSACZOFGGP-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-methylpent-1-en-3-amine?
The IUPAC name of N-ethyl-4-methoxy-2-methylpent-1-en-3-amine (CID 79616696) is N-ethyl-4-methoxy-2-methylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-4-methoxy-2-methylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-4-methoxy-2-methylpent-1-en-3-amine is C=C(C)C(NCC)C(C)OC.
What is the InChIKey of N-ethyl-4-methoxy-2-methylpent-1-en-3-amine?
The InChIKey is XZLUCSACZOFGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-10-9(7(2)3)8(4)11-5/h8-10H,2,6H2,1,3-5H3.
What are the key properties of N-ethyl-4-methoxy-2-methylpent-1-en-3-amine?
N-ethyl-4-methoxy-2-methylpent-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-methylpent-1-en-3-amine is sourced from PubChem (CID 79616696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).