(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine

C10H17N — CID 89381331

IUPAC(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine
SMILESC=C/C=C\CN/C=C(\C)CC
InChIInChI=1S/C10H17N/c1-4-6-7-8-11-9-10(3)5-2/h4,6-7,9,11H,1,5,8H2,2-3H3/b7-6-,10-9+
InChIKeySYJAYCIOKPMOCP-IXWMQOLASA-N
MW151.25 g/mol
LogP2.63
Rot. Bonds5

About (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine

(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine (PubChem CID 89381331) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine
PubChem CID89381331
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine
SMILESC=C/C=C\CN/C=C(\C)CC
InChIInChI=1S/C10H17N/c1-4-6-7-8-11-9-10(3)5-2/h4,6-7,9,11H,1,5,8H2,2-3H3/b7-6-,10-9+
InChIKeySYJAYCIOKPMOCP-IXWMQOLASA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine?
The IUPAC name of (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine (CID 89381331) is (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine.
What is the SMILES notation for (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine?
The canonical SMILES for (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine is C=C/C=C\CN/C=C(\C)CC.
What is the InChIKey of (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine?
The InChIKey is SYJAYCIOKPMOCP-IXWMQOLASA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-7-8-11-9-10(3)5-2/h4,6-7,9,11H,1,5,8H2,2-3H3/b7-6-,10-9+.
What are the key properties of (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine?
(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine is sourced from PubChem (CID 89381331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).