(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine

C9H17NO — CID 135258420

IUPAC(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(C)=C(/CC)CN
InChIInChI=1S/C9H17NO/c1-5-9(6-10)8(4)11-7(2)3/h2,5-6,10H2,1,3-4H3/b9-8-
InChIKeyCWHRXIGCLIHYBZ-HJWRWDBZSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds4

About (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine

(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine (PubChem CID 135258420) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
PubChem CID135258420
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(C)=C(/CC)CN
InChIInChI=1S/C9H17NO/c1-5-9(6-10)8(4)11-7(2)3/h2,5-6,10H2,1,3-4H3/b9-8-
InChIKeyCWHRXIGCLIHYBZ-HJWRWDBZSA-N
XLogP2.18
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 ≤ 52.18
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 (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine?
The IUPAC name of (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine (CID 135258420) is (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine.
What is the SMILES notation for (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine?
The canonical SMILES for (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine is C=C(C)O/C(C)=C(/CC)CN.
What is the InChIKey of (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine?
The InChIKey is CWHRXIGCLIHYBZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(6-10)8(4)11-7(2)3/h2,5-6,10H2,1,3-4H3/b9-8-.
What are the key properties of (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine?
(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 135258420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).