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

C9H19NO — CID 89244092

IUPACN-ethyl-2-methoxy-4-methylpent-1-en-3-amine
SMILESC=C(OC)C(NCC)C(C)C
InChIInChI=1S/C9H19NO/c1-6-10-9(7(2)3)8(4)11-5/h7,9-10H,4,6H2,1-3,5H3
InChIKeyLGNYIQNMEXFNCH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.78
Rot. Bonds5

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

N-ethyl-2-methoxy-4-methylpent-1-en-3-amine (PubChem CID 89244092) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4-methylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4-methylpent-1-en-3-amine
PubChem CID89244092
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-2-methoxy-4-methylpent-1-en-3-amine
SMILESC=C(OC)C(NCC)C(C)C
InChIInChI=1S/C9H19NO/c1-6-10-9(7(2)3)8(4)11-5/h7,9-10H,4,6H2,1-3,5H3
InChIKeyLGNYIQNMEXFNCH-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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 N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
The IUPAC name of N-ethyl-2-methoxy-4-methylpent-1-en-3-amine (CID 89244092) is N-ethyl-2-methoxy-4-methylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-2-methoxy-4-methylpent-1-en-3-amine is C=C(OC)C(NCC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
The InChIKey is LGNYIQNMEXFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-10-9(7(2)3)8(4)11-5/h7,9-10H,4,6H2,1-3,5H3.
What are the key properties of N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
N-ethyl-2-methoxy-4-methylpent-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4-methylpent-1-en-3-amine is sourced from PubChem (CID 89244092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).