N-[(3E)-hexa-3,5-dienyl]cyclopropanamine

C9H15N — CID 55299594

IUPACN-[(3E)-hexa-3,5-dienyl]cyclopropanamine
SMILESC=C/C=C/CCNC1CC1
InChIInChI=1S/C9H15N/c1-2-3-4-5-8-10-9-6-7-9/h2-4,9-10H,1,5-8H2/b4-3+
InChIKeyRYQBSQACXOTKPH-ONEGZZNKSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds5

About N-[(3E)-hexa-3,5-dienyl]cyclopropanamine

N-[(3E)-hexa-3,5-dienyl]cyclopropanamine (PubChem CID 55299594) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(3E)-hexa-3,5-dienyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3E)-hexa-3,5-dienyl]cyclopropanamine
PubChem CID55299594
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(3E)-hexa-3,5-dienyl]cyclopropanamine
SMILESC=C/C=C/CCNC1CC1
InChIInChI=1S/C9H15N/c1-2-3-4-5-8-10-9-6-7-9/h2-4,9-10H,1,5-8H2/b4-3+
InChIKeyRYQBSQACXOTKPH-ONEGZZNKSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
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 N-[(3E)-hexa-3,5-dienyl]cyclopropanamine?
The IUPAC name of N-[(3E)-hexa-3,5-dienyl]cyclopropanamine (CID 55299594) is N-[(3E)-hexa-3,5-dienyl]cyclopropanamine.
What is the SMILES notation for N-[(3E)-hexa-3,5-dienyl]cyclopropanamine?
The canonical SMILES for N-[(3E)-hexa-3,5-dienyl]cyclopropanamine is C=C/C=C/CCNC1CC1.
What is the InChIKey of N-[(3E)-hexa-3,5-dienyl]cyclopropanamine?
The InChIKey is RYQBSQACXOTKPH-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-5-8-10-9-6-7-9/h2-4,9-10H,1,5-8H2/b4-3+.
What are the key properties of N-[(3E)-hexa-3,5-dienyl]cyclopropanamine?
N-[(3E)-hexa-3,5-dienyl]cyclopropanamine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-3,5-dienyl]cyclopropanamine is sourced from PubChem (CID 55299594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).