2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine

C9H17NO — CID 177319933

IUPAC2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine
SMILESC=C(CN)O/C(=C\C)C(C)C
InChIInChI=1S/C9H17NO/c1-5-9(7(2)3)11-8(4)6-10/h5,7H,4,6,10H2,1-3H3/b9-5-
InChIKeyXYTFTWNIVADVQA-UITAMQMPSA-N
MW155.24 g/mol
LogP2.04
Rot. Bonds4

About 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine

2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine (PubChem CID 177319933) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine
PubChem CID177319933
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine
SMILESC=C(CN)O/C(=C\C)C(C)C
InChIInChI=1S/C9H17NO/c1-5-9(7(2)3)11-8(4)6-10/h5,7H,4,6,10H2,1-3H3/b9-5-
InChIKeyXYTFTWNIVADVQA-UITAMQMPSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.04
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 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine?
The IUPAC name of 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine (CID 177319933) is 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine.
What is the SMILES notation for 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine?
The canonical SMILES for 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine is C=C(CN)O/C(=C\C)C(C)C.
What is the InChIKey of 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine?
The InChIKey is XYTFTWNIVADVQA-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(7(2)3)11-8(4)6-10/h5,7H,4,6,10H2,1-3H3/b9-5-.
What are the key properties of 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine?
2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine is sourced from PubChem (CID 177319933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).