(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine

C9H17NO — CID 106201880

IUPAC(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine
SMILESNC/C=C/COCCC1CC1
InChIInChI=1S/C9H17NO/c10-6-1-2-7-11-8-5-9-3-4-9/h1-2,9H,3-8,10H2/b2-1+
InChIKeyBECLPKHJCNFYOO-OWOJBTEDSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds6

About (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine

(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine (PubChem CID 106201880) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine
PubChem CID106201880
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine
SMILESNC/C=C/COCCC1CC1
InChIInChI=1S/C9H17NO/c10-6-1-2-7-11-8-5-9-3-4-9/h1-2,9H,3-8,10H2/b2-1+
InChIKeyBECLPKHJCNFYOO-OWOJBTEDSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(cyclopropylmethoxy)but-2-en-1-amine
CID 66043915
4-(4-Methylpentoxy)but-2-en-1-amine
CID 77110143
4-(Cyclopropylmethoxy)but-2-en-1-amine
CID 77110146
4-(Oxan-4-ylmethoxy)but-2-en-1-amine
CID 77110392
4-(3-Methylbutoxy)but-2-en-1-amine
CID 77110429
4-(2-Methylpropoxy)but-2-en-1-amine
CID 77110476
4-Pentoxybut-2-en-1-amine
CID 77110479
4-(4-Methylpentan-2-yloxy)but-2-en-1-amine
CID 77110568
(E)-4-(2-methylpentoxy)but-2-en-1-amine
CID 103283875
(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine
CID 106201883
2-(2-Cyclopropylethoxymethyl)prop-2-en-1-amine
CID 106203363

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine?
The IUPAC name of (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine (CID 106201880) is (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine?
The canonical SMILES for (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine is NC/C=C/COCCC1CC1.
What is the InChIKey of (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine?
The InChIKey is BECLPKHJCNFYOO-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H17NO/c10-6-1-2-7-11-8-5-9-3-4-9/h1-2,9H,3-8,10H2/b2-1+.
What are the key properties of (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine?
(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-cyclopropylethoxy)but-2-en-1-amine is sourced from PubChem (CID 106201880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).