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

C10H21NO — CID 103283875

IUPAC(E)-4-(2-methylpentoxy)but-2-en-1-amine
SMILESCCCC(C)COC/C=C/CN
InChIInChI=1S/C10H21NO/c1-3-6-10(2)9-12-8-5-4-7-11/h4-5,10H,3,6-9,11H2,1-2H3/b5-4+
InChIKeyCVTLLOWWDDVUBE-SNAWJCMRSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds7

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

(E)-4-(2-methylpentoxy)but-2-en-1-amine (PubChem CID 103283875) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-4-(2-methylpentoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-methylpentoxy)but-2-en-1-amine
PubChem CID103283875
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-4-(2-methylpentoxy)but-2-en-1-amine
SMILESCCCC(C)COC/C=C/CN
InChIInChI=1S/C10H21NO/c1-3-6-10(2)9-12-8-5-4-7-11/h4-5,10H,3,6-9,11H2,1-2H3/b5-4+
InChIKeyCVTLLOWWDDVUBE-SNAWJCMRSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methylpentoxy)but-2-en-1-amine?
The IUPAC name of (E)-4-(2-methylpentoxy)but-2-en-1-amine (CID 103283875) is (E)-4-(2-methylpentoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(2-methylpentoxy)but-2-en-1-amine?
The canonical SMILES for (E)-4-(2-methylpentoxy)but-2-en-1-amine is CCCC(C)COC/C=C/CN.
What is the InChIKey of (E)-4-(2-methylpentoxy)but-2-en-1-amine?
The InChIKey is CVTLLOWWDDVUBE-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-6-10(2)9-12-8-5-4-7-11/h4-5,10H,3,6-9,11H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(2-methylpentoxy)but-2-en-1-amine?
(E)-4-(2-methylpentoxy)but-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methylpentoxy)but-2-en-1-amine is sourced from PubChem (CID 103283875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).