3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine

C11H21NO — CID 177319947

IUPAC3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine
SMILESC/C=C(/C)OC(CCNC)=C(C)C
InChIInChI=1S/C11H21NO/c1-6-10(4)13-11(9(2)3)7-8-12-5/h6,12H,7-8H2,1-5H3/b10-6-
InChIKeyYIJHORRUUPAGGJ-POHAHGRESA-N
MW183.29 g/mol
LogP2.83
Rot. Bonds5

About 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine

3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine (PubChem CID 177319947) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine
PubChem CID177319947
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine
SMILESC/C=C(/C)OC(CCNC)=C(C)C
InChIInChI=1S/C11H21NO/c1-6-10(4)13-11(9(2)3)7-8-12-5/h6,12H,7-8H2,1-5H3/b10-6-
InChIKeyYIJHORRUUPAGGJ-POHAHGRESA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.83
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 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine (CID 177319947) is 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine is C/C=C(/C)OC(CCNC)=C(C)C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine?
The InChIKey is YIJHORRUUPAGGJ-POHAHGRESA-N. The full InChI is InChI=1S/C11H21NO/c1-6-10(4)13-11(9(2)3)7-8-12-5/h6,12H,7-8H2,1-5H3/b10-6-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine?
3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]oxy-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 177319947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).