3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine

C10H19NO — CID 177319893

IUPAC3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine
SMILESCC=C(CCNC)O/C(C)=C\C
InChIInChI=1S/C10H19NO/c1-5-9(3)12-10(6-2)7-8-11-4/h5-6,11H,7-8H2,1-4H3/b9-5-,10-6?
InChIKeyYIGUBAKXCBYEGG-FFVZZNFRSA-N
MW169.27 g/mol
LogP2.44
Rot. Bonds5

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

3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine (PubChem CID 177319893) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine
PubChem CID177319893
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine
SMILESCC=C(CCNC)O/C(C)=C\C
InChIInChI=1S/C10H19NO/c1-5-9(3)12-10(6-2)7-8-11-4/h5-6,11H,7-8H2,1-4H3/b9-5-,10-6?
InChIKeyYIGUBAKXCBYEGG-FFVZZNFRSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.44
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-methylpent-3-en-1-amine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine (CID 177319893) is 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine is CC=C(CCNC)O/C(C)=C\C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine?
The InChIKey is YIGUBAKXCBYEGG-FFVZZNFRSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(3)12-10(6-2)7-8-11-4/h5-6,11H,7-8H2,1-4H3/b9-5-,10-6?.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine?
3-[(Z)-but-2-en-2-yl]oxy-N-methylpent-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.44, 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-methylpent-3-en-1-amine is sourced from PubChem (CID 177319893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).